 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2TZVPDr.in
 Output=35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/35_ZrEnThind2Cl2_STD/Gau-5795.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5796.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                28-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Jul 28 10:37:03 2021, MaxMem= 16106127360 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Jul 28 10:37:03 2021, MaxMem= 16106127360 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Wed Jul 28 10:37:04 2021, MaxMem= 16106127360 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 7 1.00
     Exponent=  6.9507990945D+04 Coefficients=  5.4314897497D-04
     Exponent=  1.0426156880D+04 Coefficients=  4.1990463961D-03
     Exponent=  2.3732334061D+03 Coefficients=  2.1592141679D-02
     Exponent=  6.7156420071D+02 Coefficients=  8.4598850094D-02
     Exponent=  2.1841999790D+02 Coefficients=  2.4757249724D-01
     Exponent=  7.7572249714D+01 Coefficients=  4.7016930228D-01
     Exponent=  2.8888815277D+01 Coefficients=  3.7436370716D-01
 S 3 1.00
     Exponent=  1.2710527185D+02 Coefficients=  2.5182166603D-02
     Exponent=  3.9339582961D+01 Coefficients=  1.0786112456D-01
     Exponent=  7.6740679989D+00 Coefficients= -2.7408821574D-01
 S 2 1.00
     Exponent=  3.8745627630D+00 Coefficients=  1.3213875014D+00
     Exponent=  1.8385832573D+00 Coefficients=  6.8636955368D-01
 S 1 1.00
     Exponent=  5.0229057542D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.7962723420D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1133095854D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  6.6650423284D+02 Coefficients=  2.3632663836D-03
     Exponent=  1.5764241690D+02 Coefficients=  1.8879300374D-02
     Exponent=  5.0262520978D+01 Coefficients=  8.7206341273D-02
     Exponent=  1.8536078105D+01 Coefficients=  2.5285612970D-01
     Exponent=  7.2940532777D+00 Coefficients=  4.3507154820D-01
 P 1 1.00
     Exponent=  2.9433248995D+00 Coefficients=  3.5026513165D-01
 P 1 1.00
     Exponent=  1.0404970818D+00 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.8456415080D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.3069642732D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.5381580722D-02 Coefficients=  1.0000000000D+00
 D 2 1.00
     Exponent=  4.6100000000D+00 Coefficients=  2.0000000000D-01
     Exponent=  1.0110000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.9601358790D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.0600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 2 1.00
     Exponent=  1.1000000000D+01 Coefficients= -1.9075595257D-01
     Exponent=  9.5000000000D+00 Coefficients=  3.3895588754D-01
 S 1 1.00
     Exponent=  3.6383667759D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6822026698D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.4036824036D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.5261298085D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.0131404705D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  8.6066305543D+00 Coefficients=  4.0404260236D-02
     Exponent=  4.4400979958D+00 Coefficients= -2.1187745201D-01
     Exponent=  1.1281026946D+00 Coefficients=  4.9164266891D-01
     Exponent=  5.4346076310D-01 Coefficients=  5.7303370658D-01
 P 1 1.00
     Exponent=  2.5022406048D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.5000000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.9000000000D-02 Coefficients=  1.0000000000D+00
 D 3 1.00
     Exponent=  4.5567957795D+00 Coefficients= -9.6190569023D-03
     Exponent=  1.2904939797D+00 Coefficients=  2.0569990155D-01
     Exponent=  5.1646987222D-01 Coefficients=  4.1831381851D-01
 D 1 1.00
     Exponent=  1.9349797794D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.7309809967D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.9261000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      F and up 
                                                     2        7.5400000      -21.09377605    0.00000000
                                                     2        3.7700000       -3.08069427    0.00000000
                                      S - F
                                                     2        8.2000000      150.26759106    0.00000000
                                                     2        4.0897278       18.97621650    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      P - F
                                                     2        7.1100000       99.62212372    0.00000000
                                                     2        3.5967980       14.16873329    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      D - F
                                                     2        5.3500000       35.04512355    0.00000000
                                                     2        2.4918215        6.11125948    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are  1226 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1088 symmetry adapted basis functions of A   symmetry.
  1088 basis functions,  1650 primitive gaussians,  1226 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1359214468 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2554.0402731142 Hartrees.
 Leave Link  301 at Wed Jul 28 10:37:05 2021, MaxMem= 16106127360 cpu:              20.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   90951 NPrTT=  237610 LenC2=   84735 LenP2D=  170193.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=  1088 RedAO= T EigKep=  1.02D-06  NBF=  1088
 NBsUse=  1077 1.00D-06 EigRej=  7.70D-07 NBFU=  1077
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1220  1218  1219  1220  1220 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Wed Jul 28 10:37:10 2021, MaxMem= 16106127360 cpu:              65.9 elap:               4.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Jul 28 10:37:11 2021, MaxMem= 16106127360 cpu:               7.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Jul 28 10:37:18 2021, MaxMem= 16106127360 cpu:              88.9 elap:               5.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16103090341 LenY= 16101586039
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 890000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1744.76742297947    
 DIIS: error= 1.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1744.76742297947     IErMin= 1 ErrMin= 1.69D-03
 ErrMax= 1.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.03D-03 BMatP= 9.03D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.165 Goal=   None    Shift=    0.000
 GapD=    0.165 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.10D-02 MaxDP=1.23D+00              OVMax= 9.08D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.10D-02    CP:  1.10D+00
 E= -1744.77043035772     Delta-E=       -0.003007378257 Rises=F Damp=F
 DIIS: error= 1.57D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1744.77043035772     IErMin= 2 ErrMin= 1.57D-05
 ErrMax= 1.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-06 BMatP= 9.03D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.597D-02 0.101D+01
 Coeff:     -0.597D-02 0.101D+01
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=4.70D-04 MaxDP=5.50D-02 DE=-3.01D-03 OVMax= 1.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.75D-04    CP:  1.10D+00  1.04D+00
 E= -1744.77043277405     Delta-E=       -0.000002416326 Rises=F Damp=F
 DIIS: error= 2.33D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1744.77043277405     IErMin= 2 ErrMin= 1.57D-05
 ErrMax= 2.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-06 BMatP= 3.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.328D-02 0.518D+00 0.485D+00
 Coeff:     -0.328D-02 0.518D+00 0.485D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=1.94D-05 MaxDP=2.69D-03 DE=-2.42D-06 OVMax= 6.98D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.14D-05    CP:  1.11D+00  1.04D+00  1.01D+00
 E= -1744.77043464048     Delta-E=       -0.000001866431 Rises=F Damp=F
 DIIS: error= 2.21D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1744.77043464048     IErMin= 2 ErrMin= 1.57D-05
 ErrMax= 2.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-06 BMatP= 3.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-02 0.166D+00 0.350D+00 0.485D+00
 Coeff:     -0.113D-02 0.166D+00 0.350D+00 0.485D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=7.97D-06 MaxDP=9.62D-04 DE=-1.87D-06 OVMax= 3.28D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.25D-06    CP:  1.10D+00  1.04D+00  1.04D+00  6.22D-01
 E= -1744.77043560621     Delta-E=       -0.000000965732 Rises=F Damp=F
 DIIS: error= 9.03D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1744.77043560621     IErMin= 5 ErrMin= 9.03D-06
 ErrMax= 9.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-07 BMatP= 1.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.220D-05-0.864D-02 0.122D+00 0.337D+00 0.550D+00
 Coeff:     -0.220D-05-0.864D-02 0.122D+00 0.337D+00 0.550D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=3.54D-06 MaxDP=4.75D-04 DE=-9.66D-07 OVMax= 1.20D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.76D-06    CP:  1.11D+00  1.04D+00  1.04D+00  7.22D-01  7.37D-01
 E= -1744.77043577786     Delta-E=       -0.000000171645 Rises=F Damp=F
 DIIS: error= 1.50D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1744.77043577786     IErMin= 6 ErrMin= 1.50D-06
 ErrMax= 1.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.57D-09 BMatP= 1.65D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.287D-04-0.953D-02 0.613D-01 0.185D+00 0.324D+00 0.439D+00
 Coeff:      0.287D-04-0.953D-02 0.613D-01 0.185D+00 0.324D+00 0.439D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=4.57D-07 MaxDP=2.85D-05 DE=-1.72D-07 OVMax= 2.85D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.26D-07    CP:  1.11D+00  1.04D+00  1.04D+00  7.30D-01  7.53D-01
                    CP:  9.73D-01
 E= -1744.77043578314     Delta-E=       -0.000000005281 Rises=F Damp=F
 DIIS: error= 5.46D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1744.77043578314     IErMin= 7 ErrMin= 5.46D-07
 ErrMax= 5.46D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-10 BMatP= 5.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-04-0.440D-02 0.163D-01 0.555D-01 0.104D+00 0.272D+00
 Coeff-Com:  0.556D+00
 Coeff:      0.179D-04-0.440D-02 0.163D-01 0.555D-01 0.104D+00 0.272D+00
 Coeff:      0.556D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=1.65D-07 MaxDP=1.54D-05 DE=-5.28D-09 OVMax= 7.74D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.17D-07    CP:  1.11D+00  1.04D+00  1.04D+00  7.30D-01  7.55D-01
                    CP:  1.01D+00  8.04D-01
 E= -1744.77043578414     Delta-E=       -0.000000001000 Rises=F Damp=F
 DIIS: error= 9.71D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1744.77043578414     IErMin= 8 ErrMin= 9.71D-08
 ErrMax= 9.71D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.07D-11 BMatP= 6.49D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.672D-05-0.152D-02 0.404D-02 0.150D-01 0.298D-01 0.109D+00
 Coeff-Com:  0.292D+00 0.552D+00
 Coeff:      0.672D-05-0.152D-02 0.404D-02 0.150D-01 0.298D-01 0.109D+00
 Coeff:      0.292D+00 0.552D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=4.56D-08 MaxDP=5.29D-06 DE=-1.00D-09 OVMax= 1.65D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.28D-08    CP:  1.11D+00  1.04D+00  1.04D+00  7.29D-01  7.58D-01
                    CP:  1.02D+00  8.37D-01  9.17D-01
 E= -1744.77043578371     Delta-E=        0.000000000434 Rises=F Damp=F
 DIIS: error= 3.62D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -1744.77043578414     IErMin= 9 ErrMin= 3.62D-08
 ErrMax= 3.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.18D-12 BMatP= 4.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-05-0.259D-03 0.132D-03 0.111D-02 0.281D-02 0.250D-01
 Coeff-Com:  0.907D-01 0.291D+00 0.590D+00
 Coeff:      0.137D-05-0.259D-03 0.132D-03 0.111D-02 0.281D-02 0.250D-01
 Coeff:      0.907D-01 0.291D+00 0.590D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=2.34D-08 MaxDP=3.02D-06 DE= 4.34D-10 OVMax= 4.64D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.18D-08    CP:  1.11D+00  1.04D+00  1.04D+00  7.30D-01  7.58D-01
                    CP:  1.02D+00  8.40D-01  9.36D-01  8.06D-01
 E= -1744.77043578373     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 9.49D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -1744.77043578414     IErMin=10 ErrMin= 9.49D-09
 ErrMax= 9.49D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-13 BMatP= 4.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-06-0.109D-04-0.265D-03-0.610D-03-0.102D-02 0.393D-02
 Coeff-Com:  0.234D-01 0.106D+00 0.296D+00 0.573D+00
 Coeff:      0.163D-06-0.109D-04-0.265D-03-0.610D-03-0.102D-02 0.393D-02
 Coeff:      0.234D-01 0.106D+00 0.296D+00 0.573D+00
 Gap=     0.165 Goal=   None    Shift=    0.000
 RMSDP=4.35D-09 MaxDP=2.69D-07 DE=-2.00D-11 OVMax= 1.98D-07

 SCF Done:  E(RB3LYP) =  -1744.77043578     A.U. after   10 cycles
            NFock= 10  Conv=0.44D-08     -V/T= 2.0218
 KE= 1.707481146355D+03 PE=-9.192224970538D+03 EE= 3.185933115284D+03
 Leave Link  502 at Wed Jul 28 11:21:32 2021, MaxMem= 16106127360 cpu:           42421.0 elap:            2653.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1077
 NBasis=  1088 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=   1077 NOA=    95 NOB=    95 NVA=   982 NVB=   982

 **** Warning!!: The largest alpha MO coefficient is  0.97997790D+02

 Leave Link  801 at Wed Jul 28 11:21:33 2021, MaxMem= 16106127360 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14455 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   90951 NPrTT=  237610 LenC2=   90952 LenP2D=  237610.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.55D-12 8.33D-09 XBig12= 1.00D+00 3.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.55D-12 8.33D-09 XBig12= 5.03D-01 9.40D-02.
     11 vectors produced by pass  2 Test12= 1.55D-12 8.33D-09 XBig12= 2.33D-01 1.00D-01.
     11 vectors produced by pass  3 Test12= 1.55D-12 8.33D-09 XBig12= 4.13D-02 5.69D-02.
     11 vectors produced by pass  4 Test12= 1.55D-12 8.33D-09 XBig12= 9.06D-03 2.62D-02.
     11 vectors produced by pass  5 Test12= 1.55D-12 8.33D-09 XBig12= 1.38D-03 1.00D-02.
     11 vectors produced by pass  6 Test12= 1.55D-12 8.33D-09 XBig12= 2.83D-04 4.98D-03.
     11 vectors produced by pass  7 Test12= 1.55D-12 8.33D-09 XBig12= 3.95D-05 1.28D-03.
     11 vectors produced by pass  8 Test12= 1.55D-12 8.33D-09 XBig12= 3.30D-06 3.69D-04.
     11 vectors produced by pass  9 Test12= 1.55D-12 8.33D-09 XBig12= 1.85D-07 7.45D-05.
     11 vectors produced by pass 10 Test12= 1.55D-12 8.33D-09 XBig12= 6.82D-09 8.53D-06.
     11 vectors produced by pass 11 Test12= 1.55D-12 8.33D-09 XBig12= 2.47D-10 2.37D-06.
     11 vectors produced by pass 12 Test12= 1.55D-12 8.33D-09 XBig12= 9.78D-12 4.72D-07.
      9 vectors produced by pass 13 Test12= 1.55D-12 8.33D-09 XBig12= 2.74D-13 7.23D-08.
      4 vectors produced by pass 14 Test12= 1.55D-12 8.33D-09 XBig12= 4.57D-13 2.83D-08.
      4 vectors produced by pass 15 Test12= 1.55D-12 8.33D-09 XBig12= 5.43D-12 6.61D-08.
      4 vectors produced by pass 16 Test12= 1.55D-12 8.33D-09 XBig12= 4.02D-12 5.92D-08.
      4 vectors produced by pass 17 Test12= 1.55D-12 8.33D-09 XBig12= 9.47D-12 1.11D-07.
      4 vectors produced by pass 18 Test12= 1.55D-12 8.33D-09 XBig12= 5.45D-12 7.15D-08.
      4 vectors produced by pass 19 Test12= 1.55D-12 8.33D-09 XBig12= 4.55D-12 1.13D-07.
      4 vectors produced by pass 20 Test12= 1.55D-12 8.33D-09 XBig12= 1.22D-12 4.09D-08.
      4 vectors produced by pass 21 Test12= 1.55D-12 8.33D-09 XBig12= 1.43D-12 3.53D-08.
      4 vectors produced by pass 22 Test12= 1.55D-12 8.33D-09 XBig12= 1.73D-12 4.82D-08.
      4 vectors produced by pass 23 Test12= 1.55D-12 8.33D-09 XBig12= 5.64D-13 2.54D-08.
      4 vectors produced by pass 24 Test12= 1.55D-12 8.33D-09 XBig12= 1.07D-12 3.53D-08.
      3 vectors produced by pass 25 Test12= 1.55D-12 8.33D-09 XBig12= 5.11D-13 2.38D-08.
      3 vectors produced by pass 26 Test12= 1.55D-12 8.33D-09 XBig12= 2.13D-12 4.54D-08.
      3 vectors produced by pass 27 Test12= 1.55D-12 8.33D-09 XBig12= 1.97D-12 4.56D-08.
      3 vectors produced by pass 28 Test12= 1.55D-12 8.33D-09 XBig12= 1.76D-12 5.49D-08.
      3 vectors produced by pass 29 Test12= 1.55D-12 8.33D-09 XBig12= 6.26D-13 2.17D-08.
      3 vectors produced by pass 30 Test12= 1.55D-12 8.33D-09 XBig12= 1.35D-12 4.05D-08.
      3 vectors produced by pass 31 Test12= 1.55D-12 8.33D-09 XBig12= 1.80D-12 4.17D-08.
      3 vectors produced by pass 32 Test12= 1.55D-12 8.33D-09 XBig12= 6.14D-13 2.37D-08.
      3 vectors produced by pass 33 Test12= 1.55D-12 8.33D-09 XBig12= 1.92D-12 4.56D-08.
      3 vectors produced by pass 34 Test12= 1.55D-12 8.33D-09 XBig12= 1.13D-12 3.24D-08.
      3 vectors produced by pass 35 Test12= 1.55D-12 8.33D-09 XBig12= 1.16D-12 3.60D-08.
      3 vectors produced by pass 36 Test12= 1.55D-12 8.33D-09 XBig12= 1.21D-12 4.55D-08.
      1 vectors produced by pass 37 Test12= 1.55D-12 8.33D-09 XBig12= 4.34D-13 2.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.71D-13
 Solved reduced A of dimension   233 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.344907D+03
      2 -0.464997D+00  0.274780D+03
      3 -0.416668D+01  0.413623D+00  0.254898D+03
 Isotropic polarizability for W=    0.085645      291.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.518039D+01 -0.982685D+02 -0.864920D+01
      2   0.875175D+01  0.193193D+03 -0.139022D+00
      3  -0.357136D+01 -0.949247D+02  0.878822D+01
      4   0.214759D+02  0.156606D+02 -0.303059D+02
      5  -0.147024D+02 -0.258882D+02 -0.904616D+01
      6  -0.453514D+01 -0.116815D+02  0.752186D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.408668D+01 -0.106157D+01 -0.545583D+02
      2  -0.359940D+00 -0.162371D+02 -0.182045D+01
      3   0.868113D+02 -0.444924D+01  0.184944D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.441769D+01 -0.115425D+02 -0.956769D+02
      2   0.605316D+01 -0.257708D+02 -0.547480D+01
      3   0.119744D+03 -0.690883D+01  0.213531D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.223309D+01 -0.330792D+00 -0.505480D+01
      2  -0.330792D+00  0.761169D+00  0.194677D-01
      3  -0.505480D+01  0.194677D-01 -0.482360D+01
 OR G Eigenvalues:    -7.4619     0.7413     4.8913  Iso=     0.6098
 Eigenvectors:
   (1)   0.462696   0.016515   0.886363
   (2)   0.057123   0.997193  -0.048399
   (3)   0.884675  -0.073026  -0.460454
 w=    0.085645 a.u., Optical Rotation Beta=      0.6098 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =       67.80 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  592416 ScalPx= 1.15D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  592416 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.74D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.59D-13 2.78D-09 XBig12= 1.00D+00 3.09D-01.
     30 vectors produced by pass  1 Test12= 2.59D-13 2.78D-09 XBig12= 1.00D+00 2.87D-01.
     30 vectors produced by pass  2 Test12= 2.59D-13 2.78D-09 XBig12= 8.45D-03 2.18D-02.
     30 vectors produced by pass  3 Test12= 2.59D-13 2.78D-09 XBig12= 5.58D-04 4.60D-03.
     30 vectors produced by pass  4 Test12= 2.59D-13 2.78D-09 XBig12= 2.64D-05 8.59D-04.
     30 vectors produced by pass  5 Test12= 2.59D-13 2.78D-09 XBig12= 1.10D-06 2.01D-04.
     30 vectors produced by pass  6 Test12= 2.59D-13 2.78D-09 XBig12= 1.97D-08 2.04D-05.
     30 vectors produced by pass  7 Test12= 2.59D-13 2.78D-09 XBig12= 2.59D-10 1.86D-06.
     30 vectors produced by pass  8 Test12= 2.59D-13 2.78D-09 XBig12= 2.95D-12 1.57D-07.
     14 vectors produced by pass  9 Test12= 2.59D-13 2.78D-09 XBig12= 3.29D-14 1.53D-08.
     14 vectors produced by pass 10 Test12= 2.59D-13 2.78D-09 XBig12= 2.34D-13 2.14D-08.
     14 vectors produced by pass 11 Test12= 2.59D-13 2.78D-09 XBig12= 2.87D-12 7.05D-08.
     11 vectors produced by pass 12 Test12= 2.59D-13 2.78D-09 XBig12= 6.46D-13 4.17D-08.
     11 vectors produced by pass 13 Test12= 2.59D-13 2.78D-09 XBig12= 1.57D-12 6.65D-08.
     10 vectors produced by pass 14 Test12= 2.59D-13 2.78D-09 XBig12= 8.50D-13 4.15D-08.
     10 vectors produced by pass 15 Test12= 2.59D-13 2.78D-09 XBig12= 1.30D-12 5.03D-08.
      9 vectors produced by pass 16 Test12= 2.59D-13 2.78D-09 XBig12= 3.59D-13 2.56D-08.
      9 vectors produced by pass 17 Test12= 2.59D-13 2.78D-09 XBig12= 5.96D-13 3.00D-08.
      9 vectors produced by pass 18 Test12= 2.59D-13 2.78D-09 XBig12= 7.90D-13 3.44D-08.
      8 vectors produced by pass 19 Test12= 2.59D-13 2.78D-09 XBig12= 4.07D-13 2.78D-08.
      8 vectors produced by pass 20 Test12= 2.59D-13 2.78D-09 XBig12= 6.29D-13 2.86D-08.
      8 vectors produced by pass 21 Test12= 2.59D-13 2.78D-09 XBig12= 2.91D-13 2.36D-08.
      8 vectors produced by pass 22 Test12= 2.59D-13 2.78D-09 XBig12= 2.61D-13 2.20D-08.
      8 vectors produced by pass 23 Test12= 2.59D-13 2.78D-09 XBig12= 8.72D-13 3.55D-08.
      8 vectors produced by pass 24 Test12= 2.59D-13 2.78D-09 XBig12= 5.69D-13 3.26D-08.
      8 vectors produced by pass 25 Test12= 2.59D-13 2.78D-09 XBig12= 6.47D-13 3.70D-08.
      6 vectors produced by pass 26 Test12= 2.59D-13 2.78D-09 XBig12= 3.25D-13 2.57D-08.
      6 vectors produced by pass 27 Test12= 2.59D-13 2.78D-09 XBig12= 3.89D-13 2.41D-08.
      6 vectors produced by pass 28 Test12= 2.59D-13 2.78D-09 XBig12= 8.42D-13 3.01D-08.
      5 vectors produced by pass 29 Test12= 2.59D-13 2.78D-09 XBig12= 2.00D-13 1.87D-08.
      5 vectors produced by pass 30 Test12= 2.59D-13 2.78D-09 XBig12= 3.00D-13 2.67D-08.
      5 vectors produced by pass 31 Test12= 2.59D-13 2.78D-09 XBig12= 6.38D-13 3.80D-08.
      5 vectors produced by pass 32 Test12= 2.59D-13 2.78D-09 XBig12= 3.71D-13 1.79D-08.
      5 vectors produced by pass 33 Test12= 2.59D-13 2.78D-09 XBig12= 6.97D-13 3.41D-08.
      5 vectors produced by pass 34 Test12= 2.59D-13 2.78D-09 XBig12= 5.93D-13 2.57D-08.
      5 vectors produced by pass 35 Test12= 2.59D-13 2.78D-09 XBig12= 4.66D-13 3.08D-08.
      5 vectors produced by pass 36 Test12= 2.59D-13 2.78D-09 XBig12= 4.79D-13 2.36D-08.
      5 vectors produced by pass 37 Test12= 2.59D-13 2.78D-09 XBig12= 5.12D-13 2.31D-08.
      5 vectors produced by pass 38 Test12= 2.59D-13 2.78D-09 XBig12= 3.45D-13 2.43D-08.
      5 vectors produced by pass 39 Test12= 2.59D-13 2.78D-09 XBig12= 2.90D-13 2.01D-08.
      5 vectors produced by pass 40 Test12= 2.59D-13 2.78D-09 XBig12= 3.21D-13 2.04D-08.
      5 vectors produced by pass 41 Test12= 2.59D-13 2.78D-09 XBig12= 3.85D-13 2.07D-08.
      5 vectors produced by pass 42 Test12= 2.59D-13 2.78D-09 XBig12= 2.38D-13 1.89D-08.
      5 vectors produced by pass 43 Test12= 2.59D-13 2.78D-09 XBig12= 5.84D-13 2.54D-08.
      5 vectors produced by pass 44 Test12= 2.59D-13 2.78D-09 XBig12= 3.01D-13 1.84D-08.
      5 vectors produced by pass 45 Test12= 2.59D-13 2.78D-09 XBig12= 7.12D-13 3.23D-08.
      5 vectors produced by pass 46 Test12= 2.59D-13 2.78D-09 XBig12= 3.56D-13 1.90D-08.
      5 vectors produced by pass 47 Test12= 2.59D-13 2.78D-09 XBig12= 4.63D-13 2.37D-08.
      5 vectors produced by pass 48 Test12= 2.59D-13 2.78D-09 XBig12= 4.27D-13 2.46D-08.
      5 vectors produced by pass 49 Test12= 2.59D-13 2.78D-09 XBig12= 5.05D-13 2.57D-08.
      5 vectors produced by pass 50 Test12= 2.59D-13 2.78D-09 XBig12= 2.93D-13 1.80D-08.
      5 vectors produced by pass 51 Test12= 2.59D-13 2.78D-09 XBig12= 3.31D-13 2.30D-08.
      5 vectors produced by pass 52 Test12= 2.59D-13 2.78D-09 XBig12= 5.33D-13 2.64D-08.
      5 vectors produced by pass 53 Test12= 2.59D-13 2.78D-09 XBig12= 1.80D-13 1.67D-08.
      5 vectors produced by pass 54 Test12= 2.59D-13 2.78D-09 XBig12= 2.21D-13 1.75D-08.
      5 vectors produced by pass 55 Test12= 2.59D-13 2.78D-09 XBig12= 5.40D-13 2.79D-08.
      5 vectors produced by pass 56 Test12= 2.59D-13 2.78D-09 XBig12= 2.52D-13 1.86D-08.
      5 vectors produced by pass 57 Test12= 2.59D-13 2.78D-09 XBig12= 3.66D-13 2.42D-08.
      5 vectors produced by pass 58 Test12= 2.59D-13 2.78D-09 XBig12= 2.82D-13 1.96D-08.
      5 vectors produced by pass 59 Test12= 2.59D-13 2.78D-09 XBig12= 4.38D-13 2.49D-08.
      5 vectors produced by pass 60 Test12= 2.59D-13 2.78D-09 XBig12= 2.40D-13 1.89D-08.
      5 vectors produced by pass 61 Test12= 2.59D-13 2.78D-09 XBig12= 4.57D-13 3.11D-08.
      5 vectors produced by pass 62 Test12= 2.59D-13 2.78D-09 XBig12= 3.93D-13 2.33D-08.
      5 vectors produced by pass 63 Test12= 2.59D-13 2.78D-09 XBig12= 6.42D-13 3.76D-08.
      5 vectors produced by pass 64 Test12= 2.59D-13 2.78D-09 XBig12= 2.12D-13 1.63D-08.
      5 vectors produced by pass 65 Test12= 2.59D-13 2.78D-09 XBig12= 1.89D-13 1.43D-08.
      5 vectors produced by pass 66 Test12= 2.59D-13 2.78D-09 XBig12= 8.22D-13 3.45D-08.
      5 vectors produced by pass 67 Test12= 2.59D-13 2.78D-09 XBig12= 3.86D-13 2.16D-08.
      5 vectors produced by pass 68 Test12= 2.59D-13 2.78D-09 XBig12= 3.20D-13 1.94D-08.
      5 vectors produced by pass 69 Test12= 2.59D-13 2.78D-09 XBig12= 4.29D-13 2.18D-08.
      5 vectors produced by pass 70 Test12= 2.59D-13 2.78D-09 XBig12= 5.80D-13 2.34D-08.
      4 vectors produced by pass 71 Test12= 2.59D-13 2.78D-09 XBig12= 1.47D-13 1.37D-08.
      4 vectors produced by pass 72 Test12= 2.59D-13 2.78D-09 XBig12= 4.51D-13 2.55D-08.
      4 vectors produced by pass 73 Test12= 2.59D-13 2.78D-09 XBig12= 2.97D-13 1.93D-08.
      4 vectors produced by pass 74 Test12= 2.59D-13 2.78D-09 XBig12= 3.84D-13 2.17D-08.
      4 vectors produced by pass 75 Test12= 2.59D-13 2.78D-09 XBig12= 1.84D-13 1.66D-08.
      4 vectors produced by pass 76 Test12= 2.59D-13 2.78D-09 XBig12= 4.48D-13 2.54D-08.
      4 vectors produced by pass 77 Test12= 2.59D-13 2.78D-09 XBig12= 3.28D-13 1.72D-08.
      4 vectors produced by pass 78 Test12= 2.59D-13 2.78D-09 XBig12= 2.67D-13 1.70D-08.
      4 vectors produced by pass 79 Test12= 2.59D-13 2.78D-09 XBig12= 1.55D-13 1.34D-08.
      4 vectors produced by pass 80 Test12= 2.59D-13 2.78D-09 XBig12= 3.50D-13 2.23D-08.
      4 vectors produced by pass 81 Test12= 2.59D-13 2.78D-09 XBig12= 5.62D-13 2.48D-08.
      4 vectors produced by pass 82 Test12= 2.59D-13 2.78D-09 XBig12= 3.06D-13 1.93D-08.
      4 vectors produced by pass 83 Test12= 2.59D-13 2.78D-09 XBig12= 3.60D-13 2.12D-08.
      4 vectors produced by pass 84 Test12= 2.59D-13 2.78D-09 XBig12= 6.20D-13 2.75D-08.
      4 vectors produced by pass 85 Test12= 2.59D-13 2.78D-09 XBig12= 2.12D-13 1.89D-08.
      4 vectors produced by pass 86 Test12= 2.59D-13 2.78D-09 XBig12= 6.08D-13 2.98D-08.
      4 vectors produced by pass 87 Test12= 2.59D-13 2.78D-09 XBig12= 3.84D-13 1.86D-08.
      4 vectors produced by pass 88 Test12= 2.59D-13 2.78D-09 XBig12= 4.27D-13 2.52D-08.
      4 vectors produced by pass 89 Test12= 2.59D-13 2.78D-09 XBig12= 1.40D-13 1.32D-08.
      4 vectors produced by pass 90 Test12= 2.59D-13 2.78D-09 XBig12= 1.98D-13 1.44D-08.
      4 vectors produced by pass 91 Test12= 2.59D-13 2.78D-09 XBig12= 4.94D-13 2.20D-08.
      4 vectors produced by pass 92 Test12= 2.59D-13 2.78D-09 XBig12= 3.26D-13 1.91D-08.
      4 vectors produced by pass 93 Test12= 2.59D-13 2.78D-09 XBig12= 4.61D-13 2.28D-08.
      4 vectors produced by pass 94 Test12= 2.59D-13 2.78D-09 XBig12= 5.56D-13 2.73D-08.
      4 vectors produced by pass 95 Test12= 2.59D-13 2.78D-09 XBig12= 3.61D-13 2.36D-08.
      4 vectors produced by pass 96 Test12= 2.59D-13 2.78D-09 XBig12= 3.03D-13 2.22D-08.
      4 vectors produced by pass 97 Test12= 2.59D-13 2.78D-09 XBig12= 2.98D-13 1.92D-08.
      4 vectors produced by pass 98 Test12= 2.59D-13 2.78D-09 XBig12= 2.78D-13 1.86D-08.
      4 vectors produced by pass 99 Test12= 2.59D-13 2.78D-09 XBig12= 4.44D-13 2.26D-08.
      4 vectors produced by pass100 Test12= 2.59D-13 2.78D-09 XBig12= 6.91D-13 2.78D-08.
      4 vectors produced by pass101 Test12= 2.59D-13 2.78D-09 XBig12= 3.01D-13 1.94D-08.
      4 vectors produced by pass102 Test12= 2.59D-13 2.78D-09 XBig12= 5.63D-13 2.49D-08.
      4 vectors produced by pass103 Test12= 2.59D-13 2.78D-09 XBig12= 2.82D-13 2.13D-08.
      4 vectors produced by pass104 Test12= 2.59D-13 2.78D-09 XBig12= 2.05D-13 1.46D-08.
      4 vectors produced by pass105 Test12= 2.59D-13 2.78D-09 XBig12= 3.86D-13 2.01D-08.
      4 vectors produced by pass106 Test12= 2.59D-13 2.78D-09 XBig12= 2.27D-13 1.65D-08.
      4 vectors produced by pass107 Test12= 2.59D-13 2.78D-09 XBig12= 5.86D-13 2.37D-08.
      4 vectors produced by pass108 Test12= 2.59D-13 2.78D-09 XBig12= 2.27D-13 1.42D-08.
      4 vectors produced by pass109 Test12= 2.59D-13 2.78D-09 XBig12= 2.34D-13 1.91D-08.
      4 vectors produced by pass110 Test12= 2.59D-13 2.78D-09 XBig12= 4.17D-13 2.13D-08.
      4 vectors produced by pass111 Test12= 2.59D-13 2.78D-09 XBig12= 6.18D-13 2.77D-08.
      4 vectors produced by pass112 Test12= 2.59D-13 2.78D-09 XBig12= 2.81D-13 1.89D-08.
      4 vectors produced by pass113 Test12= 2.59D-13 2.78D-09 XBig12= 3.99D-13 2.62D-08.
      4 vectors produced by pass114 Test12= 2.59D-13 2.78D-09 XBig12= 5.38D-13 2.68D-08.
      4 vectors produced by pass115 Test12= 2.59D-13 2.78D-09 XBig12= 3.40D-13 1.77D-08.
      4 vectors produced by pass116 Test12= 2.59D-13 2.78D-09 XBig12= 6.37D-13 3.03D-08.
      4 vectors produced by pass117 Test12= 2.59D-13 2.78D-09 XBig12= 2.82D-13 1.70D-08.
      4 vectors produced by pass118 Test12= 2.59D-13 2.78D-09 XBig12= 4.93D-13 2.46D-08.
      4 vectors produced by pass119 Test12= 2.59D-13 2.78D-09 XBig12= 4.77D-13 2.24D-08.
      4 vectors produced by pass120 Test12= 2.59D-13 2.78D-09 XBig12= 7.15D-13 3.80D-08.
      4 vectors produced by pass121 Test12= 2.59D-13 2.78D-09 XBig12= 2.23D-13 1.48D-08.
      4 vectors produced by pass122 Test12= 2.59D-13 2.78D-09 XBig12= 5.23D-13 2.42D-08.
      4 vectors produced by pass123 Test12= 2.59D-13 2.78D-09 XBig12= 3.82D-13 2.01D-08.
      4 vectors produced by pass124 Test12= 2.59D-13 2.78D-09 XBig12= 5.10D-13 2.27D-08.
      4 vectors produced by pass125 Test12= 2.59D-13 2.78D-09 XBig12= 8.97D-13 3.07D-08.
      4 vectors produced by pass126 Test12= 2.59D-13 2.78D-09 XBig12= 2.21D-13 1.64D-08.
      4 vectors produced by pass127 Test12= 2.59D-13 2.78D-09 XBig12= 5.41D-13 2.51D-08.
      4 vectors produced by pass128 Test12= 2.59D-13 2.78D-09 XBig12= 4.13D-13 2.29D-08.
      4 vectors produced by pass129 Test12= 2.59D-13 2.78D-09 XBig12= 5.04D-13 2.58D-08.
      4 vectors produced by pass130 Test12= 2.59D-13 2.78D-09 XBig12= 3.79D-13 2.46D-08.
      4 vectors produced by pass131 Test12= 2.59D-13 2.78D-09 XBig12= 3.86D-13 2.51D-08.
      3 vectors produced by pass132 Test12= 2.59D-13 2.78D-09 XBig12= 1.98D-13 1.40D-08.
      3 vectors produced by pass133 Test12= 2.59D-13 2.78D-09 XBig12= 2.74D-13 1.70D-08.
      3 vectors produced by pass134 Test12= 2.59D-13 2.78D-09 XBig12= 5.14D-13 2.50D-08.
      3 vectors produced by pass135 Test12= 2.59D-13 2.78D-09 XBig12= 2.59D-13 1.53D-08.
      3 vectors produced by pass136 Test12= 2.59D-13 2.78D-09 XBig12= 2.99D-13 1.78D-08.
      3 vectors produced by pass137 Test12= 2.59D-13 2.78D-09 XBig12= 5.06D-13 2.60D-08.
      3 vectors produced by pass138 Test12= 2.59D-13 2.78D-09 XBig12= 2.14D-13 1.59D-08.
      3 vectors produced by pass139 Test12= 2.59D-13 2.78D-09 XBig12= 2.06D-13 1.51D-08.
      3 vectors produced by pass140 Test12= 2.59D-13 2.78D-09 XBig12= 3.31D-13 1.76D-08.
      2 vectors produced by pass141 Test12= 2.59D-13 2.78D-09 XBig12= 1.59D-13 1.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.71D-15
 Solved reduced A of dimension   938 with    30 vectors.
 ECPInt:  NShTT=   90951 NPrTT=  237610 LenC2=   90952 LenP2D=  237610.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  592416 ScalPx= 1.14D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  592416 ScalPx= 1.14D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  592416 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.48D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   90951 NPrTT=  237610 LenC2=   90952 LenP2D=  237610.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.344907D+03 -0.464997D+00 -0.416668D+01
      2  -0.464997D+00  0.274780D+03  0.413623D+00
      3  -0.416668D+01  0.413623D+00  0.254898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.408668D+01 -0.106157D+01 -0.545583D+02
      2  -0.359940D+00 -0.162371D+02 -0.182045D+01
      3   0.868113D+02 -0.444924D+01  0.184944D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.518039D+01 -0.982685D+02 -0.864920D+01
      2   0.875175D+01  0.193193D+03 -0.139022D+00
      3  -0.357136D+01 -0.949247D+02  0.878822D+01
      4   0.214759D+02  0.156606D+02 -0.303059D+02
      5  -0.147024D+02 -0.258882D+02 -0.904616D+01
      6  -0.453514D+01 -0.116815D+02  0.752186D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.518124D+01  0.640870D+00  0.106050D+01  0.563521D+00 -0.191817D+01
      2   0.640870D+00 -0.697546D+00  0.836799D-01 -0.191817D+01 -0.655834D+01
      3   0.106050D+01  0.836799D-01  0.137306D+01  0.668204D+00  0.871673D+00
                 6             7             8             9            10 
      1   0.668204D+00  0.474470D+01  0.144839D+01 -0.619073D+00  0.127296D+02
      2   0.871673D+00  0.144839D+01  0.115068D+01 -0.767265D+00  0.384038D+01
      3   0.633225D+00 -0.619073D+00 -0.767265D+00  0.424135D+01 -0.875118D+00
                11            12            13            14            15 
      1   0.384038D+01 -0.875118D+00  0.112557D+02  0.411378D+01 -0.371758D+01
      2   0.559807D+01 -0.200286D+01  0.411378D+01  0.716536D+00 -0.312074D-01
      3  -0.200286D+01  0.145251D+01 -0.371758D+01 -0.312074D-01  0.256805D+01
                16            17            18            19            20 
      1  -0.726476D+01  0.286261D-01  0.339888D+01  0.147446D+02 -0.322743D+01
      2   0.286261D-01 -0.337726D+01  0.155295D+01 -0.322743D+01  0.294475D+01
      3   0.339888D+01  0.155295D+01 -0.207004D+01  0.544231D+01 -0.142693D+01
                21            22            23            24            25 
      1   0.544231D+01 -0.115150D+02  0.356900D+00  0.383438D+01  0.395289D+01
      2  -0.142693D+01  0.356900D+00 -0.101314D+01 -0.629707D-01  0.293148D+01
      3   0.326281D+01  0.383438D+01 -0.629707D-01 -0.108288D+01 -0.253884D+01
                26            27            28            29            30 
      1   0.293148D+01 -0.253884D+01 -0.791722D+01  0.111552D+01 -0.385709D+01
      2  -0.260650D+01 -0.185764D+00  0.111552D+01  0.485930D+00  0.119472D+01
      3  -0.185764D+00  0.399235D+00 -0.385709D+01  0.119472D+01 -0.335466D+01
                31            32            33            34            35 
      1   0.271924D+01 -0.177666D+01  0.620000D+00 -0.581085D+01  0.135899D+01
      2  -0.177666D+01  0.550122D+01 -0.597749D+00  0.135899D+01  0.823647D+00
      3   0.620000D+00 -0.597749D+00 -0.381215D+00 -0.547623D+01 -0.371112D+00
                36            37            38            39            40 
      1  -0.547623D+01 -0.720595D+01  0.496605D+01  0.113860D+01  0.576938D+01
      2  -0.371112D+00  0.496605D+01 -0.952060D+00 -0.228823D+00 -0.109423D+01
      3  -0.197270D+01  0.113860D+01 -0.228823D+00  0.281992D+01 -0.601929D-01
                41            42            43            44            45 
      1  -0.109423D+01 -0.601929D-01  0.125419D+00 -0.283217D-01  0.350832D+01
      2  -0.187887D+01  0.896560D+00 -0.283217D-01  0.764463D+00  0.199656D+01
      3   0.896560D+00  0.187144D+01  0.350832D+01  0.199656D+01  0.638738D+00
                46            47            48            49            50 
      1   0.198481D+01 -0.359753D+01  0.555408D+00 -0.645201D+01 -0.132466D+01
      2  -0.359753D+01 -0.578476D+00  0.363990D+00 -0.132466D+01  0.220076D+01
      3   0.555408D+00  0.363990D+00 -0.367519D+01  0.531128D+00 -0.463536D+00
                51            52            53            54            55 
      1   0.531128D+00  0.243145D+01  0.494408D+00 -0.676946D+01  0.406159D+01
      2  -0.463536D+00  0.494408D+00 -0.419556D+00 -0.330555D+01  0.183573D+01
      3  -0.264274D+01 -0.676946D+01 -0.330555D+01  0.966452D+00  0.226128D+00
                56            57            58            59            60 
      1   0.183573D+01  0.226128D+00 -0.187374D+01 -0.422754D+00  0.190822D+01
      2  -0.272439D+01  0.349828D+00 -0.422754D+00  0.131152D+01 -0.428761D+00
      3   0.349828D+00  0.463336D+01  0.190822D+01 -0.428761D+00 -0.136718D+01
                61            62            63            64            65 
      1   0.507623D+01 -0.202553D+01  0.688038D+01 -0.190199D+01 -0.125875D+01
      2  -0.202553D+01  0.111666D+01  0.902445D+00 -0.125875D+01 -0.396989D-01
      3   0.688038D+01  0.902445D+00  0.689657D+01  0.150302D+01  0.191358D+01
                66            67            68            69            70 
      1   0.150302D+01  0.215286D+01  0.109265D+01 -0.578685D-01 -0.101703D+01
      2   0.191358D+01  0.109265D+01 -0.155416D+01  0.148337D+01 -0.948623D+00
      3   0.469334D+00 -0.578685D-01  0.148337D+01  0.418399D+01  0.195107D+01
                71            72            73            74            75 
      1  -0.948623D+00  0.195107D+01 -0.786978D+01  0.129258D+01  0.246043D-01
      2   0.476014D+01  0.297552D+01  0.129258D+01 -0.185078D+01  0.355705D+01
      3   0.297552D+01  0.871253D+01  0.246043D-01  0.355705D+01  0.231896D+00
                76            77            78            79            80 
      1   0.136499D+01  0.953711D-01 -0.242282D+00  0.323175D+00  0.255920D+01
      2   0.953711D-01  0.134807D+02  0.140802D+01  0.255920D+01  0.103122D+01
      3  -0.242282D+00  0.140802D+01  0.205237D+01 -0.955263D+00  0.808271D+00
                81            82            83            84            85 
      1  -0.955263D+00  0.577228D+00 -0.297624D+01 -0.200649D+01 -0.100915D+01
      2   0.808271D+00 -0.297624D+01 -0.480710D+01 -0.923524D+00 -0.306792D+01
      3  -0.329079D+01 -0.200649D+01 -0.923524D+00  0.165934D+01  0.402387D+00
                86            87            88            89            90 
      1  -0.306792D+01  0.402387D+00 -0.132748D+01 -0.214938D+00  0.235486D+01
      2  -0.934856D+01 -0.145542D+01 -0.214938D+00  0.171074D+01 -0.128116D+01
      3  -0.145542D+01  0.567299D-01  0.235486D+01 -0.128116D+01  0.311903D+00
                91            92            93            94            95 
      1  -0.840960D+00 -0.284651D+01  0.198735D+01 -0.715202D+00  0.284150D+01
      2  -0.284651D+01  0.469589D+01 -0.108558D+01  0.284150D+01 -0.924408D+01
      3   0.198735D+01 -0.108558D+01 -0.163962D+01  0.233936D+00  0.167591D+01
                96            97            98            99           100 
      1   0.233936D+00  0.996430D+00 -0.450371D+00 -0.235416D+01  0.944009D+01
      2   0.167591D+01 -0.450371D+00 -0.158201D+01 -0.131285D+01  0.758385D+00
      3   0.555858D-01 -0.235416D+01 -0.131285D+01 -0.344186D+00 -0.820600D-01
               101           102           103           104           105 
      1   0.758385D+00 -0.820600D-01  0.564025D+00  0.646511D+00 -0.311341D+00
      2   0.223589D+01  0.302635D+01  0.646511D+00  0.130491D+02 -0.139941D+01
      3   0.302635D+01 -0.379748D+00 -0.311341D+00 -0.139941D+01  0.184715D+01
               106           107           108           109           110 
      1   0.364275D+00  0.265736D+01  0.123362D+01 -0.123562D+02  0.455447D+01
      2   0.265736D+01 -0.107086D+01  0.122169D+01  0.455447D+01 -0.657995D+01
      3   0.123362D+01  0.122169D+01  0.336248D+01  0.182333D+00 -0.165777D+01
               111           112           113           114           115 
      1   0.182333D+00  0.107542D+02 -0.498030D+01 -0.261415D+01  0.845766D+01
      2  -0.165777D+01 -0.498030D+01  0.110777D+01  0.279481D+00 -0.335534D+00
      3  -0.538477D+00 -0.261415D+01  0.279481D+00  0.219123D+01 -0.329958D+01
               116           117           118           119           120 
      1  -0.335534D+00 -0.329958D+01 -0.161479D+02 -0.319661D+01 -0.559303D+01
      2   0.347023D+01  0.137431D+01 -0.319661D+01 -0.309109D+01 -0.126973D+01
      3   0.137431D+01  0.157530D+01 -0.559303D+01 -0.126973D+01 -0.375109D+01
               121           122           123           124           125 
      1  -0.968258D+01 -0.128737D+00  0.381178D+01 -0.433880D+01  0.291725D+01
      2  -0.128737D+00 -0.798093D+00 -0.927733D-01  0.291725D+01  0.232965D+01
      3   0.381178D+01 -0.927733D-01 -0.109573D+01  0.196850D+01 -0.337016D+00
               126           127           128           129           130 
      1   0.196850D+01 -0.284235D+01  0.258974D+01  0.865132D+00 -0.917768D+00
      2  -0.337016D+00  0.258974D+01  0.288065D+01  0.581737D+00  0.710108D+00
      3  -0.116258D+01  0.865132D+00  0.581737D+00 -0.424159D+01  0.186568D+01
               131           132           133           134           135 
      1   0.710108D+00  0.186568D+01 -0.574334D+01 -0.201288D+01 -0.661310D+01
      2   0.106722D+01  0.544398D+00 -0.201288D+01 -0.800789D+00  0.945997D+00
      3   0.544398D+00 -0.110939D+01 -0.661310D+01  0.945997D+00 -0.729133D+01
               136           137           138           139           140 
      1   0.949338D+00 -0.109752D+01 -0.135473D+01  0.215903D+01 -0.162618D+01
      2  -0.109752D+01  0.290052D+00  0.172326D+01 -0.162618D+01 -0.155688D+01
      3  -0.135473D+01  0.172326D+01 -0.340169D+00 -0.471729D+00 -0.192716D+01
               141           142           143           144           145 
      1  -0.471729D+00  0.569047D+00 -0.136631D+01 -0.176373D+01  0.535462D+01
      2  -0.192716D+01 -0.136631D+01 -0.468680D+01  0.275249D+01 -0.305764D+01
      3   0.393827D+01 -0.176373D+01  0.275249D+01 -0.887784D+01 -0.928436D+00
               146           147           148           149           150 
      1  -0.305764D+01 -0.928436D+00 -0.726977D+01  0.735046D+01 -0.332982D+00
      2   0.379047D+01 -0.135125D+01  0.735046D+01 -0.605954D+01 -0.649612D+00
      3  -0.135125D+01 -0.105676D+01 -0.332982D+00 -0.649612D+00 -0.158913D+01
               151           152           153           154           155 
      1  -0.240672D+01 -0.239201D+01 -0.203219D+00  0.995615D+00 -0.256595D+01
      2  -0.239201D+01 -0.237576D+00 -0.231286D+01 -0.256595D+01 -0.454596D+00
      3  -0.203219D+00 -0.231286D+01 -0.166209D+01 -0.272720D+01  0.349649D+01
               156           157           158           159           160 
      1  -0.272720D+01 -0.391072D+01 -0.355098D+00  0.440963D+01 -0.290574D+01
      2   0.349649D+01 -0.355098D+00  0.653594D+00 -0.165200D+01  0.417745D+01
      3   0.184144D+01  0.440963D+01 -0.165200D+01  0.511080D+00  0.204210D+01
               161           162           163           164           165 
      1   0.417745D+01  0.204210D+01  0.531933D+01  0.308188D+01  0.707163D+00
      2  -0.160156D+01  0.911697D+00  0.308188D+01  0.148450D+01 -0.295857D+01
      3   0.911697D+00 -0.164550D+01  0.707163D+00 -0.295857D+01 -0.522205D+00
               166           167           168           169           170 
      1   0.534183D+01  0.292918D+01 -0.442720D+01  0.695527D+00 -0.449033D+01
      2   0.292918D+01 -0.380544D+00  0.934529D+00 -0.449033D+01  0.719533D+00
      3  -0.442720D+01  0.934529D+00 -0.173051D+01  0.594676D+00 -0.198046D+01
               171           172           173           174           175 
      1   0.594676D+00  0.422698D+01  0.628730D+00  0.673060D+00  0.400021D+01
      2  -0.198046D+01  0.628730D+00  0.656576D+00  0.245283D+01  0.284542D+01
      3   0.664305D+00  0.673060D+00  0.245283D+01  0.201799D+01  0.309861D+01
               176           177           178           179           180 
      1   0.284542D+01  0.309861D+01 -0.819360D+00  0.213960D+01  0.312934D+01
      2   0.351638D+01 -0.235746D+00  0.213960D+01 -0.921562D+00  0.308600D+01
      3  -0.235746D+00  0.237541D+01  0.312934D+01  0.308600D+01  0.277954D+01
               181           182           183           184           185 
      1  -0.526851D-01 -0.609942D+01  0.122260D+00  0.120967D+01 -0.244396D+00
      2  -0.609942D+01 -0.356297D+00 -0.324413D+01 -0.244396D+00 -0.888718D+01
      3   0.122260D+00 -0.324413D+01 -0.653152D-01 -0.326106D+01  0.333943D+00
               186           187           188           189           190 
      1  -0.326106D+01  0.172775D+00 -0.479751D+01  0.229666D+00  0.902026D+01
      2   0.333943D+00 -0.479751D+01  0.214983D+00 -0.433766D+01 -0.168716D+01
      3  -0.120549D+01  0.229666D+00 -0.433766D+01  0.255253D+00 -0.524239D+00
               191           192           193           194           195 
      1  -0.168716D+01 -0.524239D+00 -0.478361D+01  0.166460D+01  0.254421D-01
      2   0.603316D+00  0.852330D+00  0.166460D+01 -0.110133D+02 -0.283257D+01
      3   0.852330D+00  0.151517D+01  0.254421D-01 -0.283257D+01 -0.303553D+01
               196           197           198           199           200 
      1  -0.350263D+01  0.111518D+01  0.830992D+00 -0.971597D+01 -0.980632D+00
      2   0.111518D+01 -0.189880D+01 -0.343126D+01 -0.980632D+00 -0.847541D+00
      3   0.830992D+00 -0.343126D+01 -0.701616D+01  0.584818D+00  0.708425D+00
               201           202           203           204           205 
      1   0.584818D+00 -0.364142D+01 -0.201401D+01  0.322338D+00  0.373077D+01
      2   0.708425D+00 -0.201401D+01 -0.999585D+01  0.306112D+01  0.976783D+00
      3  -0.176279D+01  0.322338D+00  0.306112D+01 -0.288319D+01 -0.119027D+01
               206           207           208           209           210 
      1   0.976783D+00 -0.119027D+01 -0.203433D+01  0.105501D+01  0.252468D+01
      2   0.222424D+01 -0.320033D+01  0.105501D+01 -0.696414D+00 -0.139455D+01
      3  -0.320033D+01  0.798310D+01  0.252468D+01 -0.139455D+01 -0.415205D+01
               211           212           213           214           215 
      1   0.896217D+00 -0.499196D+00 -0.624898D+00  0.226373D+01 -0.348700D+00
      2  -0.499196D+00  0.680281D+00  0.463873D+00 -0.348700D+00  0.680914D+00
      3  -0.624898D+00  0.463873D+00 -0.867519D-01 -0.242316D+01  0.212560D+00
               216           217           218           219           220 
      1  -0.242316D+01  0.418263D+00 -0.364009D+00 -0.251238D-01 -0.977279D+00
      2   0.212560D+00 -0.364009D+00  0.315756D+00  0.925505D-02  0.949514D+00
      3   0.384556D+01 -0.251238D-01  0.925505D-02 -0.886857D+00 -0.125409D+01
               221           222           223           224           225 
      1   0.949514D+00 -0.125409D+01  0.540093D+00 -0.236985D+00 -0.393728D-01
      2  -0.335605D+01  0.351825D+01 -0.236985D+00  0.223121D+01 -0.268453D+01
      3   0.351825D+01 -0.446059D+01 -0.393728D-01 -0.268453D+01  0.422525D+01
               226           227           228           229           230 
      1  -0.846881D+00 -0.528659D+00 -0.761206D+00 -0.175079D+01 -0.974453D-01
      2  -0.528659D+00 -0.470754D+00  0.210900D+00 -0.974453D-01  0.812363D+00
      3  -0.761206D+00  0.210900D+00 -0.962533D+00  0.351438D-01 -0.688197D+00
               231           232           233           234           235 
      1   0.351438D-01 -0.416993D+01 -0.778571D+00  0.130084D+01  0.896809D-01
      2  -0.688197D+00 -0.778571D+00 -0.122110D+01  0.134334D+01  0.861651D+00
      3  -0.568632D+00  0.130084D+01  0.134334D+01 -0.584979D+01  0.188199D+00
               236           237           238           239           240 
      1   0.861651D+00  0.188199D+00  0.318996D+01  0.212417D+01 -0.774738D+00
      2   0.780214D+00 -0.682624D-01  0.212417D+01  0.896726D+01 -0.130296D+01
      3  -0.682624D-01 -0.351674D+00 -0.774738D+00 -0.130296D+01  0.765608D+00
               241           242           243           244           245 
      1   0.101635D+00 -0.713476D-01  0.170264D+00  0.603119D+01  0.216365D+01
      2  -0.713476D-01  0.485750D-01  0.967677D+00  0.216365D+01  0.125780D+01
      3   0.170264D+00  0.967677D+00 -0.446056D+00 -0.345234D+01 -0.110075D+01
               246           247           248           249           250 
      1  -0.345234D+01  0.266012D+01  0.192416D+01 -0.126116D+01 -0.629880D+01
      2  -0.110075D+01  0.192416D+01  0.120497D+01 -0.139183D+01 -0.194952D+01
      3   0.250391D+01 -0.126116D+01 -0.139183D+01  0.139963D+01  0.517634D+01
               251           252           253           254           255 
      1  -0.194952D+01  0.517634D+01  0.425988D+01  0.202837D+01  0.181825D+01
      2  -0.170762D+01  0.230605D+01  0.202837D+01  0.125239D+01  0.656386D+00
      3   0.230605D+01 -0.491517D+01  0.181825D+01  0.656386D+00  0.149580D+01
               256           257           258           259           260 
      1   0.302173D+01  0.189313D+01  0.790673D+00  0.441373D+01  0.164063D+01
      2   0.189313D+01  0.154832D+01  0.108747D+01  0.164063D+01  0.190166D+01
      3   0.790673D+00  0.108747D+01  0.113019D+01  0.300583D+01  0.174404D+01
               261           262           263           264           265 
      1   0.300583D+01 -0.229825D+01 -0.142535D+01 -0.994467D+00 -0.196348D+01
      2   0.174404D+01 -0.142535D+01 -0.411467D+00 -0.167034D+00 -0.807679D-01
      3   0.292749D+01 -0.994467D+00 -0.167034D+00 -0.114964D+01  0.744338D-02
               266           267           268           269           270 
      1  -0.807679D-01  0.744338D-02 -0.174638D+01 -0.161247D+00 -0.222583D+00
      2  -0.840038D+00 -0.930750D+00 -0.161247D+00 -0.169108D+01 -0.156083D+01
      3  -0.930750D+00 -0.114642D+01 -0.222583D+00 -0.156083D+01 -0.362976D+01
               271           272           273           274           275 
      1   0.133877D+02 -0.432848D+01 -0.165708D+01 -0.427455D+01  0.299639D+01
      2  -0.432848D+01  0.237963D+01  0.365619D+00  0.299639D+01 -0.184816D+01
      3  -0.165708D+01  0.365619D+00  0.708014D+00  0.603997D+00 -0.412616D+00
               276           277           278           279           280 
      1   0.603997D+00 -0.492785D+00  0.305283D+00  0.126053D+01  0.898457D+01
      2  -0.412616D+00  0.305283D+00 -0.179639D+00 -0.784842D+00 -0.144112D+01
      3  -0.580577D+00  0.126053D+01 -0.784842D+00 -0.353973D+00  0.403269D+01
               281           282           283           284           285 
      1  -0.144112D+01  0.403269D+01  0.254175D+00  0.143178D+01 -0.426172D-01
      2   0.722526D+00 -0.873624D+00  0.143178D+01 -0.927288D+00  0.813921D+00
      3  -0.873624D+00  0.307676D+01 -0.426172D-01  0.813921D+00  0.319817D+00
               286           287           288           289           290 
      1   0.776781D+01 -0.197578D+01  0.507601D+01 -0.212676D+00 -0.111858D+01
      2  -0.197578D+01  0.112884D+01 -0.112321D+01 -0.111858D+01 -0.438882D+00
      3   0.507601D+01 -0.112321D+01  0.514760D+01  0.358946D-01  0.144860D+00
               291           292           293           294           295 
      1   0.358946D-01 -0.345525D+01  0.225893D+01 -0.209913D+00  0.475599D+00
      2   0.144860D+00  0.225893D+01 -0.763604D+01  0.995719D+00 -0.349706D+00
      3   0.388689D-01 -0.209913D+00  0.995719D+00 -0.923845D+00  0.853213D+00
               296           297           298           299           300 
      1  -0.349706D+00  0.853213D+00  0.274503D+01  0.337303D+01  0.102138D+01
      2   0.214463D+00 -0.700076D+00  0.337303D+01  0.676214D+01  0.124412D+01
      3  -0.700076D+00  0.523916D+00  0.102138D+01  0.124412D+01  0.638661D+00
               301           302           303           304           305 
      1   0.247370D+01  0.314232D+01  0.794001D+00  0.529182D+00  0.707429D+00
      2   0.314232D+01  0.117634D+02  0.173856D+01  0.707429D+00  0.635557D+00
      3   0.794001D+00  0.173856D+01  0.115696D+01  0.482796D+00  0.185780D+01
               306           307           308           309           310 
      1   0.482796D+00 -0.306383D+01  0.138387D+01  0.153697D+01  0.471720D+00
      2   0.185780D+01  0.138387D+01 -0.138966D+01 -0.104043D+01 -0.723427D+00
      3   0.741316D+00  0.153697D+01 -0.104043D+01 -0.171917D+01 -0.493499D+00
               311           312           313           314           315 
      1  -0.723427D+00 -0.493499D+00  0.169477D+01 -0.100328D+01 -0.155004D+01
      2   0.182554D+01  0.120054D+01 -0.100328D+01  0.222775D+01  0.154165D+01
      3   0.120054D+01  0.848969D+00 -0.155004D+01  0.154165D+01  0.266988D+01
               316           317           318           319           320 
      1   0.298412D+01  0.139080D+01 -0.156655D+01  0.496219D+00  0.635871D+00
      2   0.139080D+01  0.129488D+01 -0.103016D+01  0.635871D+00  0.167318D+01
      3  -0.156655D+01 -0.103016D+01  0.181137D+01 -0.449283D+00 -0.113889D+01
               321           322           323           324           325 
      1  -0.449283D+00 -0.162921D+01 -0.103305D+01  0.154893D+01 -0.252654D+01
      2  -0.113889D+01 -0.103305D+01 -0.210505D+01  0.149445D+01  0.318008D+01
      3   0.765424D+00  0.154893D+01  0.149445D+01 -0.269675D+01 -0.104560D+01
               326           327           328           329           330 
      1   0.318008D+01 -0.104560D+01  0.232120D+01 -0.291989D+01  0.830935D+00
      2  -0.667251D+01  0.136809D+01 -0.291989D+01  0.116996D+02 -0.191574D+01
      3   0.136809D+01 -0.664225D+00  0.830935D+00 -0.191574D+01  0.123240D+01
               331           332           333           334           335 
      1  -0.560740D+00  0.761712D+00 -0.466744D+00  0.256840D+01  0.105355D+01
      2   0.761712D+00 -0.854590D+00  0.188414D+01  0.105355D+01  0.640668D+00
      3  -0.466744D+00  0.188414D+01 -0.815231D+00 -0.264827D+01 -0.127493D+01
               336           337           338           339           340 
      1  -0.264827D+01  0.885769D+00  0.507574D+00 -0.480175D+00 -0.231068D+01
      2  -0.127493D+01  0.507574D+00  0.630076D+00 -0.404122D+00 -0.318031D+00
      3   0.410034D+01 -0.480175D+00 -0.404122D+00 -0.306842D+00  0.239558D+01
               341           342           343           344           345 
      1  -0.318031D+00  0.239558D+01 -0.312246D+00 -0.449129D+00 -0.126854D+00
      2  -0.649385D+00  0.544731D-01 -0.449129D+00 -0.330894D+00 -0.876954D-03
      3   0.544731D-01 -0.352128D+01 -0.126854D+00 -0.876954D-03  0.920605D+00
               346           347           348           349           350 
      1  -0.101178D+01 -0.835371D+00 -0.114604D+01 -0.466388D+00 -0.209244D+00
      2  -0.835371D+00 -0.336059D+01 -0.349082D+01 -0.209244D+00 -0.228506D+01
      3  -0.114604D+01 -0.349082D+01 -0.448885D+01  0.109337D+00 -0.269971D+01
               351           352           353           354           355 
      1   0.109337D+00 -0.548471D+01  0.320064D+01  0.135745D+00  0.632878D+01
      2  -0.269971D+01  0.320064D+01 -0.338763D+01  0.324768D+00 -0.568314D+01
      3  -0.399306D+01  0.135745D+00  0.324768D+00 -0.224100D+00 -0.593268D+00
               356           357           358           359           360 
      1  -0.568314D+01 -0.593268D+00 -0.241492D+01  0.193802D+01 -0.504291D+00
      2   0.817978D+01  0.101505D-01  0.193802D+01 -0.217788D+01  0.124375D+01
      3   0.101505D-01  0.101853D+01 -0.504291D+00  0.124375D+01 -0.615449D+00
               361           362           363           364           365 
      1   0.247734D+01  0.640863D+00  0.731665D+00  0.189956D+01 -0.570548D+00
      2   0.640863D+00  0.622698D+00  0.815641D+00 -0.570548D+00  0.242476D+01
      3   0.731665D+00  0.815641D+00  0.106235D+01 -0.801319D-01  0.143314D+01
               366           367           368           369           370 
      1  -0.801319D-01  0.227866D+01  0.607506D+00 -0.125550D+00 -0.799721D+01
      2   0.143314D+01  0.607506D+00  0.177903D+01  0.243284D+01  0.260208D+01
      3   0.131607D+01 -0.125550D+00  0.243284D+01  0.383200D+01  0.404976D+01
               371           372           373           374           375 
      1   0.260208D+01  0.404976D+01  0.394280D+01 -0.233366D+01 -0.235140D+01
      2  -0.144021D+01 -0.180449D+01 -0.233366D+01  0.203310D+01  0.183508D+01
      3  -0.180449D+01 -0.294698D+01 -0.235140D+01  0.183508D+01  0.172510D+01
               376           377           378           379           380 
      1   0.398098D+01 -0.164889D+01 -0.371736D+01  0.244571D+01 -0.103944D+01
      2  -0.164889D+01  0.117806D+01  0.148565D+01 -0.103944D+01  0.802910D+00
      3  -0.371736D+01  0.148565D+01  0.364488D+01  0.891250D+00 -0.486839D+00
               381           382           383           384           385 
      1   0.891250D+00 -0.196994D+01  0.665059D+00 -0.572890D+00  0.159778D+01
      2  -0.486839D+00  0.665059D+00 -0.187089D+01  0.124153D+01 -0.491331D+00
      3   0.446351D+00 -0.572890D+00  0.124153D+01 -0.183295D+01 -0.311472D+00
               386           387           388           389           390 
      1  -0.491331D+00 -0.311472D+00 -0.111132D+02 -0.379500D+01  0.126743D+01
      2   0.127926D+01 -0.123186D+01 -0.379500D+01 -0.201405D+01  0.592717D+00
      3  -0.123186D+01  0.319376D+01  0.126743D+01  0.592717D+00 -0.811484D+00
               391           392           393           394           395 
      1  -0.638304D+01 -0.355210D+01  0.114301D+01  0.315254D+01  0.151802D+01
      2  -0.355210D+01 -0.261669D+01  0.337162D+00  0.151802D+01  0.597890D+00
      3   0.114301D+01  0.337162D+00 -0.472757D+00 -0.177682D+01 -0.475811D+00
               396           397           398           399           400 
      1  -0.177682D+01 -0.468652D+01  0.135237D+01 -0.188818D+01  0.335457D+01
      2  -0.475811D+00  0.135237D+01 -0.105604D+01  0.820116D+00 -0.249258D+01
      3   0.792824D+00 -0.188818D+01  0.820116D+00 -0.111263D+01  0.198047D+01
               401           402           403           404           405 
      1  -0.249258D+01  0.198047D+01 -0.384513D+01  0.170115D+01 -0.236110D+01
      2   0.247666D+01 -0.144673D+01  0.170115D+01 -0.135733D+01  0.144838D+01
      3  -0.144673D+01  0.190753D+01 -0.236110D+01  0.144838D+01 -0.287494D+01
               406           407           408           409           410 
      1   0.296310D+00 -0.107381D+01  0.113197D+01 -0.406071D+01 -0.226347D+01
      2  -0.107381D+01 -0.106859D+00 -0.167294D-01 -0.226347D+01 -0.519221D+01
      3   0.113197D+01 -0.167294D-01  0.163973D+00 -0.474023D+00  0.688108D+00
               411           412           413           414           415 
      1  -0.474023D+00  0.365916D+01  0.157683D+00 -0.297113D+00 -0.348379D+01
      2   0.688108D+00  0.157683D+00  0.158909D+01 -0.120402D+01 -0.143532D+01
      3  -0.991059D+00 -0.297113D+00 -0.120402D+01  0.544790D+00 -0.232447D+01
               416           417           418           419           420 
      1  -0.143532D+01 -0.232447D+01 -0.243339D+01 -0.217068D+01 -0.161290D+01
      2  -0.110281D+01 -0.144891D+01 -0.217068D+01 -0.258755D+01 -0.190095D+01
      3  -0.144891D+01 -0.193486D+01 -0.161290D+01 -0.190095D+01 -0.188851D+01
               421           422           423 
      1  -0.502434D+01 -0.250412D+01 -0.392357D+01
      2  -0.250412D+01 -0.237648D+01 -0.325656D+01
      3  -0.392357D+01 -0.325656D+01 -0.583135D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.772907D+01  0.152771D+00 -0.359590D+01  0.342131D+01  0.727837D+01
      2   0.322790D+01  0.307265D+01  0.106609D+02  0.101273D+02  0.559616D+01
      3  -0.173675D+02  0.345246D+01  0.287800D+01  0.146557D+02  0.212670D+02
                 6             7             8             9            10 
      1  -0.533197D+01  0.391767D+01  0.783551D+01 -0.135224D+02 -0.343823D+01
      2   0.402571D+01 -0.160071D+02 -0.601199D+01  0.274486D+02 -0.269248D+02
      3  -0.238698D+01  0.479388D+01  0.217640D+01 -0.163948D-01  0.203520D+02
                11            12            13            14            15 
      1   0.161709D+02 -0.159519D+01  0.354293D+02 -0.618618D+01 -0.554327D+01
      2  -0.153764D+02  0.194988D+01 -0.455797D+02 -0.810630D+01  0.194607D+02
      3  -0.128063D+02  0.674118D+01  0.127096D+01  0.128062D+02 -0.135016D+02
                16            17            18            19            20 
      1   0.149110D+01 -0.112337D+02  0.117680D+02 -0.110294D+02  0.134152D+02
      2   0.109940D+02  0.293053D+01 -0.208139D+02 -0.290400D+02  0.157877D+01
      3  -0.920089D+01  0.873224D+01  0.301270D+01  0.180993D+02 -0.127857D+02
                21            22            23            24            25 
      1  -0.118436D+02 -0.817140D+01 -0.137791D+01 -0.286501D+01  0.140144D+02
      2  -0.643731D+01  0.388898D+02 -0.103062D+02 -0.198860D+02 -0.413547D+02
      3   0.101486D+02 -0.228667D+01  0.128830D+01  0.166999D+02  0.148075D+01
                26            27            28            29            30 
      1  -0.612297D+01  0.821203D+00 -0.435910D+00  0.202946D+01 -0.246590D+01
      2  -0.869306D+01  0.862036D+01  0.286937D+00  0.601550D+00 -0.601065D+01
      3   0.161945D+02 -0.982736D+01  0.278084D+01 -0.523997D+01 -0.141564D+00
                31            32            33            34            35 
      1   0.893114D+00  0.104935D+02 -0.607882D+01 -0.930989D+01  0.114913D+01
      2  -0.548425D+01  0.488656D+01 -0.526086D+01 -0.177972D+02 -0.321476D+01
      3   0.142297D+02 -0.288136D+02 -0.560553D+00  0.111102D+01 -0.637274D+01
                36            37            38            39            40 
      1   0.350961D+00 -0.431809D+01  0.644422D+00  0.250795D+01  0.506268D+00
      2   0.516864D+00 -0.227328D+01  0.317186D+01  0.186217D+02  0.291526D+01
      3   0.862172D+01 -0.219674D+02 -0.222650D+01  0.356834D+00  0.102003D+01
                41            42            43            44            45 
      1   0.259836D+01 -0.153095D+01  0.325438D+01  0.318536D+01 -0.220623D+01
      2   0.534197D+01  0.105628D+02  0.194960D+02  0.115451D+02  0.509841D+01
      3   0.147330D+02 -0.576767D+01 -0.216792D+01 -0.480544D+01 -0.129195D+02
                46            47            48            49            50 
      1   0.549288D+01 -0.299516D+00  0.371761D+01 -0.265839D+01 -0.363160D+01
      2   0.573486D+01 -0.109418D+01 -0.190511D+02 -0.538798D+00 -0.404687D+01
      3   0.266288D+02 -0.394261D+01 -0.248852D+01 -0.214570D+01 -0.160297D+02
                51            52            53            54            55 
      1   0.265558D+01  0.777770D+01  0.733455D+01  0.100922D+01  0.262377D+01
      2  -0.126874D+02 -0.407459D+02 -0.172584D+02  0.781305D+00 -0.165224D+02
      3   0.510028D+01  0.192624D+00  0.314157D+01  0.853748D+01  0.247700D+02
                56            57            58            59            60 
      1  -0.117565D+02  0.627229D+01 -0.114662D+02 -0.479352D+01 -0.391788D+01
      2  -0.340024D+01  0.170606D+02  0.224332D+02  0.491237D+01 -0.714163D+01
      3   0.751345D+01 -0.660870D+01  0.120661D+01  0.368039D+01  0.625808D+01
                61            62            63            64            65 
      1  -0.189090D+02  0.105582D+02 -0.107383D+02 -0.606990D+01 -0.875237D+01
      2   0.124946D+02  0.623557D+01  0.731793D+01  0.252790D+02  0.855945D+01
      3   0.473928D+01 -0.770416D+01  0.133752D+02 -0.210278D+02 -0.395206D+00
                66            67            68            69            70 
      1   0.181003D+00  0.272284D+01 -0.149991D+02  0.866030D+01 -0.773982D+01
      2   0.594306D+01 -0.938966D+01  0.747141D+01  0.475982D+01  0.422694D+01
      3  -0.151648D+01  0.757345D+01  0.975158D+01 -0.171498D+02 -0.207440D+01
                71            72            73            74            75 
      1   0.102976D+02 -0.129943D+02  0.319663D+02 -0.159561D+02  0.103440D+02
      2   0.933510D+01  0.162723D+02  0.885905D+01 -0.211788D+01  0.457382D+01
      3  -0.740726D+01  0.346766D+00 -0.363521D+02  0.429067D+01 -0.938050D+01
                76            77            78            79            80 
      1   0.977684D+01  0.464859D+02  0.438544D+01  0.123200D+02  0.583059D+01
      2  -0.836888D+01  0.673291D+01  0.670323D+01 -0.281813D+00  0.684240D+01
      3  -0.398911D+01 -0.381349D+02 -0.721795D+01 -0.121714D+02  0.485843D+01
                81            82            83            84            85 
      1   0.237521D+02  0.422138D+01  0.555454D+00 -0.120819D+02 -0.104466D+02
      2  -0.957762D+01 -0.273950D+01  0.372225D+01  0.565949D+01  0.161725D+01
      3  -0.194448D+02  0.694797D+01 -0.179601D+02 -0.794356D+01  0.135990D+01
                86            87            88            89            90 
      1  -0.159359D+02 -0.646273D+01 -0.147767D+02  0.874624D+01 -0.947638D+01
      2  -0.883514D+00  0.147273D+01  0.166201D+01  0.225522D+01 -0.337989D+01
      3  -0.129274D+01  0.541170D+01 -0.770606D+01 -0.595298D+00  0.137653D+02
                91            92            93            94            95 
      1  -0.350457D+01  0.144015D+01  0.121221D+02 -0.965446D+01  0.150771D+02
      2  -0.180563D+01 -0.416684D+01  0.529041D+01 -0.249197D-02 -0.176972D+01
      3  -0.722419D+01 -0.183905D+02  0.810145D+01  0.135265D+01  0.228310D+01
                96            97            98            99           100 
      1  -0.671206D+01  0.153782D+02  0.889787D+01  0.999626D+01 -0.319653D+02
      2  -0.120925D+01  0.850528D+00 -0.282621D+01 -0.338582D+01  0.184357D+02
      3   0.467978D+01  0.653498D+01 -0.122313D+01 -0.135930D+02  0.395290D+02
               101           102           103           104           105 
      1  -0.133736D+02 -0.972628D+01  0.739013D+01 -0.455275D+02  0.561075D+01
      2   0.418851D+01  0.439480D+01  0.515667D+01  0.883515D+01 -0.604142D+01
      3   0.261780D+01  0.736558D+01 -0.397987D+01  0.380778D+02 -0.716886D+01
               106           107           108           109           110 
      1  -0.128348D+02  0.263628D+01 -0.261121D+02  0.838912D+01  0.149878D+02
      2  -0.321520D+00 -0.734820D+01 -0.629433D+01 -0.289294D+02  0.129523D+02
      3   0.140112D+02  0.619555D+01  0.215604D+02 -0.204570D+02 -0.141826D+02
               111           112           113           114           115 
      1  -0.920561D+00  0.369335D+02  0.292742D+01 -0.459286D+01 -0.483447D+01
      2  -0.295787D+01  0.359247D+02 -0.134175D+02 -0.179639D+02  0.960372D+01
      3  -0.653120D+01 -0.346035D+01 -0.142771D+02 -0.903529D+01  0.463750D+01
               116           117           118           119           120 
      1  -0.107176D+02 -0.124387D+02  0.145888D+02  0.141145D+02  0.103578D+02
      2  -0.199418D+01 -0.202631D+02 -0.330467D+02 -0.598562D+01 -0.653146D+01
      3   0.856174D+01 -0.260115D+01 -0.167519D+02 -0.145072D+02 -0.815979D+01
               121           122           123           124           125 
      1  -0.103762D+02  0.238535D+01 -0.275284D+01 -0.163082D+02 -0.615654D+01
      2  -0.350376D+02 -0.649417D+01  0.237639D+02 -0.377857D+02  0.978041D+01
      3   0.270469D+01  0.189467D+01  0.151397D+02  0.319301D+01  0.158578D+02
               126           127           128           129           130 
      1   0.117635D+01 -0.830987D+01 -0.134058D+02 -0.578602D+01 -0.131867D+02
      2   0.123725D+02 -0.192799D+02  0.537697D+01  0.211434D+02 -0.191470D+02
      3   0.886489D+01 -0.183785D+02  0.925433D+01  0.692337D+01  0.367996D+01
               131           132           133           134           135 
      1   0.405350D+01 -0.453796D+01  0.224173D+02  0.979150D+01  0.114113D+02
      2   0.511734D+01  0.744630D+01  0.870093D+01 -0.729252D+01  0.698203D+01
      3  -0.286729D+01  0.513128D+01 -0.825948D+01 -0.716280D+01 -0.126497D+02
               136           137           138           139           140 
      1   0.559212D+01 -0.804219D+01  0.797960D+00  0.694918D+01  0.174268D+02
      2   0.250044D+02 -0.769247D+01  0.584086D+01  0.106207D+02  0.572112D+01
      3   0.188127D+02 -0.662040D+00  0.117641D+01  0.405232D+01 -0.125817D+02
               141           142           143           144           145 
      1   0.963936D+01  0.918098D+01  0.124301D+02  0.143855D+02  0.460679D+01
      2  -0.948611D+01  0.423244D+01 -0.976405D+01  0.163459D+02  0.609594D+01
      3  -0.169984D+02  0.129252D+01 -0.754873D+01 -0.163009D+01  0.242104D+01
               146           147           148           149           150 
      1   0.519929D+01  0.236534D+01  0.529470D+01  0.651909D+00  0.137289D-01
      2   0.453393D+01  0.929059D+01 -0.100825D+02  0.470087D+01  0.919903D+01
      3   0.316163D+01 -0.112259D+02  0.143157D+02 -0.610460D+01 -0.267032D+01
               151           152           153           154           155 
      1  -0.413792D+01  0.108489D+02  0.681070D+01 -0.447712D+01 -0.286276D+01
      2  -0.702038D+01  0.184018D+02  0.172893D+02  0.101950D+02 -0.139234D+02
      3  -0.123034D+02 -0.646990D+01 -0.119110D+02 -0.160839D+02 -0.666579D+01
               156           157           158           159           160 
      1   0.510438D+01 -0.591535D+01  0.154734D+01 -0.515509D+01  0.784344D+01
      2  -0.270949D+01 -0.196800D+02  0.832059D+01 -0.113565D+02 -0.793234D+01
      3   0.181077D+02 -0.595559D+01  0.483224D+01 -0.369690D+01  0.231839D+02
               161           162           163           164           165 
      1  -0.310129D+00  0.236277D+01  0.928824D+00 -0.130350D+01 -0.169445D+01
      2  -0.127432D+02  0.483803D+01 -0.326838D+01  0.188124D+02  0.514648D+01
      3  -0.371477D+01  0.777789D+01  0.187035D+02  0.609194D+01 -0.179147D+02
               166           167           168           169           170 
      1  -0.183755D+01 -0.128782D+01 -0.316578D+01 -0.375749D+01 -0.245197D+00
      2   0.305648D+02 -0.351417D+01  0.973206D+01 -0.439375D+01  0.106488D+02
      3   0.191746D+02 -0.347271D+01  0.601637D+01 -0.293061D+02  0.370354D+01
               171           172           173           174           175 
      1  -0.988139D+00 -0.207071D+01  0.297328D+01  0.793228D+00  0.213732D+01
      2  -0.263227D+01  0.688970D+01 -0.884243D+01 -0.580339D+01 -0.604948D+01
      3  -0.110914D+02 -0.439850D+00  0.657819D+00  0.975298D+01  0.128890D+02
               176           177           178           179           180 
      1  -0.106190D+02  0.547827D+00  0.574946D+01  0.127585D+02  0.311331D+01
      2   0.133825D+02 -0.753207D+01 -0.212081D+02 -0.145231D+02 -0.486643D+01
      3   0.153850D+02 -0.109975D+02  0.118860D+02 -0.998996D+01  0.118103D+02
               181           182           183           184           185 
      1   0.251163D+01  0.155438D+02  0.244591D+00 -0.259459D+02 -0.131569D+01
      2   0.577482D+02  0.590446D+00  0.257642D+02  0.327977D+01 -0.625020D+01
      3  -0.209483D+01 -0.200465D+02 -0.178330D+01  0.849845D+02 -0.879185D+00
               186           187           188           189           190 
      1  -0.553908D+02 -0.243931D+01  0.233226D+02 -0.991556D+00  0.202739D+01
      2  -0.754739D+00 -0.428591D+02  0.863094D+00 -0.287265D+02  0.177721D+01
      3   0.836501D+01 -0.411416D+01 -0.216619D+02  0.205885D+01 -0.117636D+02
               191           192           193           194           195 
      1  -0.562815D+01 -0.483849D+00 -0.752424D+01  0.778403D+01 -0.795207D+01
      2   0.122818D+00  0.580891D+01  0.106764D+01  0.152436D+01 -0.182479D+01
      3  -0.920189D+01 -0.110592D+01  0.590192D+01  0.567773D+01  0.728743D+01
               196           197           198           199           200 
      1   0.132133D+01  0.111849D+02 -0.400195D+01 -0.407174D+01 -0.652701D+01
      2  -0.782371D+01  0.790964D+00  0.269431D+01  0.313911D+01 -0.480481D+00
      3  -0.442939D+01  0.474031D+01 -0.152608D+01  0.978359D+01 -0.105588D+02
               201           202           203           204           205 
      1   0.592186D-01 -0.876261D+01 -0.638794D+01 -0.570156D+01 -0.424343D+00
      2   0.771744D+01 -0.259253D+01  0.237003D+01  0.280005D+01 -0.629240D+01
      3   0.306419D+01  0.190319D+01 -0.550327D+01  0.827894D+01  0.772196D+01
               206           207           208           209           210 
      1   0.123307D+02  0.272392D+01  0.189341D+01 -0.197308D+01  0.616620D-01
      2  -0.118393D+01  0.244452D+01  0.942920D+01 -0.498357D+01 -0.914817D+01
      3   0.621448D+01  0.436735D+00 -0.904238D+00  0.155617D+00  0.334954D+01
               211           212           213           214           215 
      1  -0.110101D+01  0.142502D+01  0.959043D+00  0.181550D+01  0.232268D+01
      2  -0.664876D+01  0.226387D+01  0.156121D+01 -0.124182D+02  0.668491D+00
      3   0.311224D+01 -0.617384D+00 -0.845086D+00  0.397679D+01  0.906116D+00
               216           217           218           219           220 
      1  -0.241686D+01 -0.912969D+00  0.206193D+01 -0.511820D+00  0.270724D+01
      2   0.950677D+01 -0.315669D+00  0.797734D+00 -0.124882D+01  0.183944D+01
      3  -0.246554D+01  0.121832D+01 -0.201395D+01 -0.396463D+00  0.858613D+00
               221           222           223           224           225 
      1  -0.847480D+01  0.612733D+01 -0.333994D+00  0.758488D+01 -0.502279D+01
      2   0.373703D+01 -0.461950D+01 -0.225418D+01 -0.512949D+01  0.758073D+01
      3   0.526132D+01 -0.624315D+01 -0.570499D+00 -0.510082D+01  0.525744D+01
               226           227           228           229           230 
      1   0.359922D+01 -0.392813D-01  0.237659D+01 -0.881355D+00  0.114179D+01
      2  -0.707694D+01  0.245608D+00 -0.633958D+01 -0.238236D+01 -0.436510D+01
      3  -0.873841D+00  0.321705D+00 -0.276511D+01 -0.235485D+01 -0.282201D+01
               231           232           233           234           235 
      1   0.189335D+01 -0.322130D+01  0.330186D+00  0.140429D+02 -0.217872D+01
      2  -0.243819D+01 -0.237190D+01  0.572462D+01 -0.272582D+02  0.319885D+01
      3   0.311195D+01 -0.509822D+01  0.891775D+00 -0.284679D+01 -0.451179D+01
               236           237           238           239           240 
      1  -0.105817D+01  0.424719D+00  0.380424D+00 -0.740155D+01 -0.304027D+01
      2   0.479887D+00 -0.680198D+00 -0.513665D+00 -0.610207D+01  0.327432D+01
      3  -0.819905D+00  0.118651D+01  0.520048D+01 -0.295262D+02  0.199182D+01
               241           242           243           244           245 
      1   0.146791D+00 -0.138814D+01  0.288864D+00  0.173651D+01 -0.931169D+00
      2  -0.296383D+00  0.355208D+01 -0.268890D+01 -0.116989D+02 -0.396282D+01
      3   0.141213D+01 -0.146188D+01 -0.328595D+01 -0.428977D+01 -0.568075D+01
               246           247           248           249           250 
      1  -0.295758D+01  0.696186D+00  0.211897D+00 -0.143703D+01 -0.544250D+01
      2   0.123839D+02 -0.409169D+01 -0.558188D+01  0.686173D+01  0.189462D+02
      3   0.170719D+01 -0.445294D+01 -0.388748D+01  0.507181D+01  0.453019D+00
               251           252           253           254           255 
      1   0.114778D+01  0.471625D+01 -0.359639D+01 -0.102215D+01 -0.267312D+01
      2   0.105216D+02 -0.224591D+02  0.102785D+02  0.427603D+01  0.101649D+02
      3   0.808810D+01 -0.509289D+01 -0.612134D+01 -0.601832D+01 -0.599993D+00
               256           257           258           259           260 
      1  -0.196267D+01 -0.175834D+01 -0.344732D+01 -0.416423D+01 -0.164051D+01
      2   0.538686D+01  0.655899D+01  0.671253D+01  0.159437D+02  0.934299D+01
      3  -0.334857D+01 -0.579412D+01 -0.489650D+01 -0.915417D+00 -0.997051D+01
               261           262           263           264           265 
      1  -0.544605D+01  0.156471D+01  0.132470D+01 -0.995336D+00  0.651656D+00
      2   0.182793D+02 -0.111308D+02 -0.402359D+01 -0.785729D+01 -0.323168D+01
      3  -0.492050D+01  0.127276D+02  0.567643D+01  0.253920D+01  0.744550D+01
               266           267           268           269           270 
      1  -0.238278D+00 -0.109730D+01  0.888687D-01  0.228651D+01 -0.271623D+01
      2  -0.617573D+01 -0.587534D+01 -0.104570D+02 -0.864056D+01 -0.201463D+02
      3   0.552144D+01  0.539042D+01  0.564817D+01  0.911407D+01  0.918763D+01
               271           272           273           274           275 
      1   0.841984D+00 -0.220133D+01  0.155611D+01 -0.968901D+00  0.761265D+00
      2  -0.104973D+01 -0.485299D+00  0.574406D+01 -0.216361D-01 -0.517726D+00
      3   0.103398D+02 -0.128602D+02 -0.484741D+00 -0.909600D+01  0.722906D+01
               276           277           278           279           280 
      1  -0.139955D+01  0.479004D+00  0.382252D+00 -0.284820D-01  0.267096D+01
      2  -0.390826D+01  0.356291D+01 -0.384124D+01 -0.130837D+01  0.155388D+01
      3   0.125311D+01 -0.722299D+00  0.410622D+00  0.351651D+01 -0.443756D+01
               281           282           283           284           285 
      1   0.313577D+00  0.420014D+01  0.131015D+01 -0.367898D-01  0.574802D+00
      2  -0.770811D+00  0.100141D+02 -0.134934D+01  0.102822D+01  0.196594D+01
      3  -0.375547D+01 -0.153274D+01 -0.579935D+01  0.314248D+01 -0.332243D+01
               286           287           288           289           290 
      1   0.402009D+01  0.245883D+01  0.515652D+01 -0.287812D+01 -0.216721D+01
      2   0.759025D+01 -0.110971D+01  0.146936D+02  0.139682D+01 -0.133261D+00
      3  -0.543048D+00 -0.370408D+01 -0.117773D+01  0.751302D+01  0.536182D+01
               291           292           293           294           295 
      1  -0.392306D+00  0.168812D+01 -0.872910D+01 -0.381930D+01 -0.871506D+00
      2  -0.410716D+00  0.324645D+01 -0.173694D+01 -0.395903D+01 -0.952708D+00
      3   0.156956D+01 -0.394785D+00  0.344219D+02 -0.283401D+01  0.334129D+01
               296           297           298           299           300 
      1  -0.822583D-01 -0.245822D+01 -0.781521D+00  0.492223D+01 -0.323012D+01
      2  -0.299008D+01 -0.133402D+01 -0.281779D+01 -0.150028D+01  0.704481D+00
      3   0.164315D+01  0.411204D+01  0.117374D+02  0.659435D+01  0.408273D+01
               301           302           303           304           305 
      1  -0.208391D+01  0.718512D+01 -0.695524D+01 -0.207252D+01 -0.515800D+01
      2  -0.205673D+01 -0.202601D+00  0.539023D+00 -0.160419D+01  0.427610D+00
      3   0.122064D+02  0.545732D+01  0.387751D+01  0.267332D+01  0.176570D+01
               306           307           308           309           310 
      1  -0.571210D+00 -0.490611D+01  0.172757D+01  0.775032D+01  0.143946D+01
      2   0.109508D+01  0.798130D+01 -0.123903D+01 -0.202670D+01  0.751189D+00
      3   0.958300D+00 -0.171367D+02  0.377765D+01  0.686075D+01  0.273379D+01
               311           312           313           314           315 
      1  -0.414929D+01 -0.215598D+01  0.570123D+01 -0.219289D+00 -0.798582D+01
      2   0.147410D+01  0.543474D+00 -0.576800D+01  0.194212D+01  0.296398D+01
      3  -0.264882D+01 -0.253481D+01  0.865323D+01 -0.491871D+01 -0.781241D+01
               316           317           318           319           320 
      1   0.454291D+01  0.154701D+01 -0.795251D+01  0.132872D+01  0.408926D+01
      2   0.669154D+01  0.125266D+01 -0.152226D+01 -0.583440D+00  0.871287D+00
      3   0.159532D+02  0.405377D+01 -0.681563D+01  0.298762D+01  0.189720D+01
               321           322           323           324           325 
      1  -0.199426D+01 -0.526429D+01 -0.342343D+00  0.799079D+01  0.123388D+01
      2  -0.456390D+00 -0.502374D+01 -0.194132D+01  0.261251D+01 -0.289456D+01
      3  -0.220603D+01 -0.778769D+01 -0.482735D+01  0.746577D+01 -0.113632D+02
               326           327           328           329           330 
      1   0.469429D+01  0.275043D+01 -0.235290D+01 -0.667515D+01 -0.697321D+01
      2   0.104866D+01  0.690551D+00  0.252602D+01 -0.580283D-02 -0.343587D+00
      3   0.658336D+01 -0.393304D+01  0.120501D+02 -0.601069D+01  0.428214D+01
               331           332           333           334           335 
      1   0.181271D+01 -0.504852D+01  0.890792D+00 -0.211720D+01 -0.187318D+01
      2  -0.194332D+01 -0.156082D+00  0.935475D+00  0.116687D+02  0.520103D+01
      3  -0.314275D+01  0.175421D+01 -0.109951D+01  0.134018D+01 -0.177705D+00
               336           337           338           339           340 
      1  -0.550169D+00 -0.105644D+01 -0.111147D+01  0.122245D+01 -0.188055D+01
      2  -0.818321D+01  0.680811D+01  0.210989D+01 -0.936262D+00 -0.124060D+02
      3  -0.318362D+01  0.256926D+01  0.391883D+00 -0.556857D+00 -0.340600D+01
               341           342           343           344           345 
      1   0.215886D+01  0.223769D+01  0.143326D+01  0.158985D+01  0.473753D+00
      2  -0.327336D+00  0.851898D+01 -0.119555D+00 -0.105528D+01 -0.134456D+01
      3   0.102964D+01  0.200822D+01 -0.136003D+01 -0.167596D+01  0.959100D-01
               346           347           348           349           350 
      1   0.209605D+01  0.891719D+01  0.625905D+01  0.709860D+00  0.756773D+01
      2  -0.225980D+01  0.364423D+01  0.449676D+01 -0.241026D+01  0.490809D+01
      3   0.125713D+01 -0.525228D+01 -0.586688D+01  0.303942D+00 -0.502389D+01
               351           352           353           354           355 
      1   0.527346D+01  0.143634D+01 -0.288285D+01  0.268588D+01 -0.219730D+01
      2   0.707801D+01  0.238953D+01 -0.209280D+01  0.281617D+01  0.232169D+01
      3  -0.539968D+01 -0.170572D+01 -0.567175D+01  0.218204D+01 -0.294430D+01
               356           357           358           359           360 
      1   0.454498D+01 -0.495909D+01  0.183388D+01 -0.317630D+01  0.171517D+01
      2  -0.668788D+00 -0.571844D+01  0.203702D+00 -0.533188D+01  0.117707D+01
      3   0.176287D+02 -0.152969D+01 -0.231673D+00 -0.420335D+01  0.443796D+01
               361           362           363           364           365 
      1  -0.412121D+00 -0.128533D+01 -0.279797D+01  0.144169D+01 -0.154282D+01
      2  -0.915692D+01 -0.587224D+01 -0.712821D+01  0.340057D+00 -0.847313D+01
      3   0.117396D+02  0.470682D+01  0.556022D+01  0.444405D+01  0.763855D+01
               366           367           368           369           370 
      1  -0.303378D+01  0.153350D+01 -0.176191D+01 -0.856888D+01  0.532571D+00
      2  -0.655615D+01 -0.772656D+01 -0.126387D+02 -0.179445D+02 -0.720425D+01
      3   0.556451D+01  0.818668D+01  0.886192D+01  0.109488D+02  0.512338D+01
               371           372           373           374           375 
      1  -0.220608D+01  0.174464D+00 -0.615988D+00  0.245391D+01  0.962778D-01
      2   0.526482D+01  0.111274D+02  0.539970D+01 -0.590036D+01 -0.592882D+01
      3  -0.712768D+01 -0.556148D+01 -0.478472D+01  0.926663D+01  0.634912D+01
               376           377           378           379           380 
      1   0.625140D-02  0.246485D+01 -0.976281D+00 -0.322702D+01  0.335740D+01
      2   0.911415D+01 -0.443390D+01 -0.133918D+02 -0.117371D+02  0.608815D+01
      3  -0.507565D+01  0.533615D+01  0.402222D+01 -0.454453D+01  0.558106D+01
               381           382           383           384           385 
      1  -0.201230D+01  0.399993D+01 -0.625354D+01  0.224769D+01 -0.277450D+01
      2  -0.452759D+01  0.105031D+02 -0.956758D+01  0.112280D+02 -0.604401D+01
      3  -0.339553D+01  0.953530D+01 -0.126831D+02  0.613480D+01 -0.440433D+01
               386           387           388           389           390 
      1   0.499804D+01 -0.376136D+01  0.842817D+00 -0.133828D+00 -0.134684D+01
      2   0.827450D+01 -0.152986D+02 -0.871212D+01 -0.426582D+01  0.763336D+01
      3   0.628882D+01 -0.641761D+01 -0.165793D+02 -0.127647D+02  0.291954D+01
               391           392           393           394           395 
      1   0.132203D+01 -0.260380D+00 -0.166440D+01 -0.510527D+00  0.851218D+00
      2  -0.873198D+01 -0.256439D+01  0.443568D+01  0.863206D+01  0.264100D+01
      3  -0.145544D+02 -0.145090D+02  0.108300D+01  0.710072D+01  0.393363D+01
               396           397           398           399           400 
      1   0.112317D+01 -0.126057D+01  0.813258D+00  0.104982D-01  0.898584D+00
      2  -0.581965D+01  0.823931D+01 -0.403998D+01  0.650122D+01 -0.864717D+01
      3  -0.195130D+01  0.624849D+01 -0.735640D+01  0.521716D+01 -0.110078D+02
               401           402           403           404           405 
      1  -0.120962D+01 -0.849749D+00 -0.255924D+00  0.235487D+01  0.727601D-01
      2   0.624689D+01 -0.115344D+02  0.789219D+01 -0.707573D+01  0.152585D+02
      3   0.155324D+02 -0.790668D+01  0.960948D+01 -0.913294D+01  0.793762D+01
               406           407           408           409           410 
      1   0.649958D+01 -0.296356D+01  0.874259D+00 -0.479293D+00  0.899291D+01
      2  -0.452393D+01  0.172914D+01 -0.151939D+01 -0.139217D+01 -0.102357D+02
      3  -0.713641D+01  0.284726D+01 -0.525077D+01  0.563157D+00 -0.227254D+02
               411           412           413           414           415 
      1  -0.630338D+01  0.105979D+01 -0.508663D+01  0.605430D+01 -0.208645D+01
      2   0.578191D+01  0.126423D+01  0.933828D+01 -0.907338D+01  0.470140D+01
      3   0.681324D+01 -0.926298D+01  0.104805D+02 -0.107421D+02 -0.166444D+01
               416           417           418           419           420 
      1  -0.934070D+00 -0.259262D+01  0.296828D+00  0.127737D+01 -0.151257D+01
      2   0.403005D+01  0.623227D+01  0.214356D+01  0.403862D+01  0.609213D+01
      3  -0.461883D+01 -0.337563D+01 -0.423886D+01 -0.884942D+01 -0.548343D+01
               421           422           423 
      1  -0.184206D+01  0.563984D-01 -0.561379D+01
      2   0.564491D+01  0.971626D+01  0.200259D+02
      3  -0.324373D+01 -0.788131D+01 -0.959817D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.387317D+02  0.857828D+01  0.103249D+02  0.174158D+02  0.170855D+02
      2   0.214197D+02 -0.622889D+01 -0.813652D+00 -0.160381D+02 -0.376383D+02
      3   0.173121D+02 -0.234940D+01 -0.951124D+01 -0.137764D+01  0.205528D+02
      4   0.661606D+00 -0.372078D+01  0.122414D+01 -0.716539D+01 -0.444945D+02
      5   0.726733D+01 -0.164150D+01  0.841003D+01  0.666760D+00  0.305534D+01
      6  -0.186329D+01  0.333358D+00  0.422798D+01  0.351134D+01  0.834090D+01
                 6             7             8             9            10 
      1   0.186545D+01  0.118928D+02  0.330862D+01  0.150595D+02  0.270612D+02
      2   0.547672D+01 -0.635497D+01 -0.168599D+01  0.520730D+01 -0.238502D+02
      3  -0.734217D+01 -0.553779D+01 -0.162264D+01 -0.202668D+02 -0.321097D+01
      4   0.590994D+01  0.982461D+01  0.347045D+01  0.387548D+01  0.308969D+02
      5   0.476302D+01  0.323988D+01 -0.403443D+00  0.185687D+02 -0.185263D+01
      6   0.185099D+01 -0.776322D+00 -0.247888D-01  0.102976D+02 -0.477293D+01
                11            12            13            14            15 
      1   0.108927D+02 -0.424138D+01  0.518672D+02  0.820260D+01 -0.114784D+02
      2   0.123784D+02  0.229885D+01 -0.145725D+02 -0.140624D+02  0.425251D+01
      3  -0.232711D+02  0.194253D+01 -0.372947D+02  0.585976D+01  0.722589D+01
      4   0.134582D+02 -0.831951D+01  0.193159D+02  0.153798D+02 -0.135403D+01
      5  -0.559372D+01  0.978067D+01 -0.245010D+01 -0.303062D+01  0.308093D+01
      6   0.610810D+01 -0.145991D+01 -0.940373D+00 -0.227171D+01  0.652607D+01
                16            17            18            19            20 
      1  -0.243901D+02  0.449069D+01  0.776051D+01  0.650416D+02 -0.172553D+02
      2   0.513695D+01 -0.101411D+02 -0.379007D+01 -0.367345D+02  0.176121D+02
      3   0.192531D+02  0.565038D+01 -0.397044D+01 -0.283071D+02 -0.356851D+00
      4  -0.299360D+01 -0.103129D+02  0.100332D+02 -0.284890D+02  0.117941D+02
      5   0.188693D+02  0.744671D+01 -0.100184D+02  0.431330D+02 -0.918375D+01
      6   0.691682D+01  0.255368D+01 -0.382874D+01 -0.102053D+02  0.562346D+01
                21            22            23            24            25 
      1   0.166157D+02 -0.542651D+02  0.403285D+01  0.116024D+02  0.249256D+02
      2  -0.200834D+02  0.177615D+02  0.106416D+02 -0.814575D+01 -0.459382D+01
      3   0.346776D+01  0.365035D+02 -0.146744D+02 -0.345661D+01 -0.203318D+02
      4  -0.849457D+01  0.321087D+01 -0.135458D+02  0.666193D+01  0.161457D+02
      5   0.154160D+02  0.683450D+01  0.831555D+01 -0.814489D+00 -0.669561D+00
      6  -0.594029D+01  0.763684D+01 -0.265282D+01 -0.201846D+01  0.136711D+01
                26            27            28            29            30 
      1   0.956686D+01 -0.485775D+01 -0.437077D+02  0.527238D+01 -0.227480D+02
      2  -0.953981D+01 -0.953364D+00  0.322248D+02 -0.966477D+01  0.172167D+02
      3  -0.270443D-01  0.581111D+01  0.114829D+02  0.439238D+01  0.553129D+01
      4   0.913870D+00 -0.339599D+01  0.959607D+01  0.285170D+01  0.118892D+02
      5  -0.386174D+00  0.289663D+01 -0.442304D+02  0.117318D+02 -0.363025D+02
      6   0.826813D+00  0.104892D+02  0.109372D+02 -0.225366D+01  0.837875D+01
                31            32            33            34            35 
      1   0.191798D+01  0.998982D+01  0.358405D+01 -0.344494D+02  0.142752D+02
      2   0.627662D+01 -0.228895D+02 -0.366824D+00  0.279138D+02 -0.107156D+02
      3  -0.819460D+01  0.128996D+02 -0.321722D+01  0.653568D+01 -0.355962D+01
      4  -0.102131D+02  0.379044D+02 -0.475867D+01  0.176497D+02  0.589663D+01
      5   0.782113D+01 -0.710664D+01 -0.653283D+01 -0.592244D+02 -0.728362D+00
      6  -0.480716D+01  0.750616D+01  0.105066D+01  0.127489D+02 -0.799090D+00
                36            37            38            39            40 
      1  -0.381748D+02 -0.769856D+02  0.500337D+02  0.135052D+02  0.535968D+02
      2   0.279311D+02  0.343372D+02 -0.228328D+02 -0.376055D+01 -0.260428D+02
      3   0.102437D+02  0.426484D+02 -0.272009D+02 -0.974469D+01 -0.275539D+02
      4   0.229370D+00  0.561186D+02 -0.126087D+02 -0.499157D+01 -0.186954D+02
      5  -0.229780D+02  0.149669D+02 -0.550696D+01  0.249613D+02 -0.293119D+01
      6   0.374556D+01 -0.817083D+01  0.226780D+01 -0.470840D+01  0.123352D+01
                41            42            43            44            45 
      1  -0.128322D+02  0.115319D+01  0.590349D+01  0.237712D+01  0.339041D+02
      2   0.827688D+01  0.681482D+00  0.579282D+00  0.172384D+01 -0.166632D+02
      3   0.455528D+01 -0.183468D+01 -0.648277D+01 -0.410096D+01 -0.172410D+02
      4  -0.148465D+02  0.712589D+01 -0.150992D+01  0.640901D+01  0.168600D+02
      5   0.747528D+01  0.165750D+02  0.330545D+02  0.176745D+02  0.508037D+01
      6   0.493678D+00 -0.364680D+01 -0.274225D+01 -0.263625D+01 -0.501936D+01
                46            47            48            49            50 
      1   0.179677D+02 -0.324295D+02 -0.402930D+00 -0.482471D+02 -0.105691D+02
      2  -0.781904D+01  0.185276D+02 -0.602198D+01  0.264021D+02  0.101629D+02
      3  -0.101487D+02  0.139019D+02  0.642491D+01  0.218450D+02  0.406194D+00
      4  -0.351067D+02 -0.117147D+02  0.372571D+01 -0.186379D+02  0.164299D+02
      5   0.691525D+01  0.616840D+01 -0.405507D+02  0.550090D+01 -0.344854D+01
      6   0.636526D+01  0.313084D-02 -0.103632D+02  0.178267D+01 -0.361484D+01
                51            52            53            54            55 
      1   0.999241D+00  0.115726D+02 -0.225586D+00 -0.551035D+02 -0.431488D+01
      2  -0.452885D+01 -0.150909D+02 -0.463679D+01  0.286394D+02 -0.994053D+01
      3   0.352961D+01  0.351828D+01  0.486238D+01  0.264642D+02  0.142554D+02
      4  -0.355903D+01  0.293443D+01 -0.439494D+01 -0.422410D+02  0.155387D+02
      5  -0.257555D+02 -0.717356D+02 -0.362314D+02  0.132598D+02  0.337300D+01
      6  -0.809066D+01 -0.200513D+02 -0.782736D+01  0.424932D+01 -0.415432D+01
                56            57            58            59            60 
      1   0.909299D+01 -0.237189D+02 -0.423549D+01 -0.182404D+01  0.669094D+01
      2  -0.100181D+02 -0.108775D+02 -0.281586D+01  0.939794D+01  0.171733D+01
      3   0.925094D+00  0.345964D+02  0.705135D+01 -0.757389D+01 -0.840827D+01
      4  -0.258715D+01 -0.609985D+00  0.577954D+01  0.369695D+01 -0.247456D+01
      5  -0.167357D+00  0.258861D+02 -0.921020D+00 -0.146248D+01  0.629799D+01
      6   0.280890D+01  0.745968D+01 -0.356784D+00  0.317887D+01 -0.938374D+01
                61            62            63            64            65 
      1   0.308058D+01 -0.164202D+02 -0.371419D+01 -0.987752D+00 -0.596630D+01
      2  -0.230843D+02  0.104213D+02 -0.295367D+02  0.628839D+01 -0.370231D+01
      3   0.200037D+02  0.599898D+01  0.332509D+02 -0.530064D+01  0.966861D+01
      4  -0.130707D+02  0.428377D+01  0.101505D+00 -0.239666D+00  0.101716D+02
      5   0.293969D+02 -0.636794D+00  0.318963D+02  0.541618D+01 -0.312428D+01
      6  -0.548117D+01 -0.548862D+01  0.544627D+00 -0.109239D+01 -0.823769D+00
                66            67            68            69            70 
      1   0.617708D+01 -0.661557D+01  0.791861D+01 -0.277010D+02 -0.170988D+01
      2  -0.783972D+01 -0.870518D+00 -0.194184D+02 -0.443335D+01 -0.526262D+01
      3   0.166264D+01  0.748608D+01  0.114998D+02  0.321343D+02  0.697250D+01
      4  -0.354056D+01  0.432259D+01  0.853729D+00  0.983742D+00 -0.460876D+01
      5   0.378513D+01 -0.514089D+00  0.940807D+00  0.193059D+02  0.268915D+01
      6   0.136342D+02  0.290116D+01  0.628223D+01  0.161193D+02  0.413223D+01
                71            72            73            74            75 
      1  -0.237769D+02 -0.221697D+02 -0.383720D+01 -0.370441D+01 -0.393513D+01
      2   0.129149D+02 -0.166480D+02  0.129808D+02 -0.878314D+01  0.154754D+01
      3   0.108620D+02  0.388177D+02 -0.914365D+01  0.124876D+02  0.238758D+01
      4   0.934984D+01  0.875243D+01 -0.924513D+01 -0.490617D+00  0.167911D+02
      5   0.764531D+01  0.228451D+02  0.577537D+01  0.134007D+02 -0.113872D+01
      6   0.162699D+02  0.208503D+02  0.124571D+02  0.607723D+01  0.371652D+01
                76            77            78            79            80 
      1   0.137927D+02 -0.376955D+02 -0.932675D+01  0.117805D+01  0.515923D+01
      2  -0.657707D+01  0.553559D+02 -0.180696D+01 -0.872735D+00  0.119818D+00
      3  -0.721561D+01 -0.176604D+02  0.111337D+02 -0.305317D+00 -0.527905D+01
      4   0.695224D+01  0.249474D+02  0.447373D+01  0.813900D+01  0.764804D+01
      5   0.139384D+01  0.582748D+01  0.510101D+01 -0.251389D+01  0.181066D+01
      6   0.253289D+01  0.227346D+02  0.112639D+02  0.620272D+01  0.924592D+01
                81            82            83            84            85 
      1  -0.909308D+01  0.900040D+01  0.188368D+02  0.183035D+00  0.134838D+02
      2   0.113822D+02 -0.147628D+02 -0.426243D+02 -0.684803D+01 -0.260679D+02
      3  -0.228912D+01  0.576238D+01  0.237875D+02  0.666499D+01  0.125841D+02
      4  -0.235464D+01 -0.102695D+01 -0.231833D+02 -0.136837D+02 -0.151820D+02
      5   0.572971D+01  0.511561D+00 -0.808526D+01 -0.474614D+01 -0.347556D+01
      6  -0.754805D+00 -0.168883D+02 -0.923018D+01  0.156331D+02 -0.325858D+01
                86            87            88            89            90 
      1   0.324160D+02  0.644219D+01 -0.217927D+01 -0.638387D+01  0.448396D+01
      2  -0.635401D+02 -0.127667D+02 -0.173887D+01  0.703948D+01 -0.491883D+01
      3   0.311241D+02  0.632453D+01  0.391814D+01 -0.655605D+00  0.434875D+00
      4  -0.397556D+02 -0.207664D+01 -0.854308D+01 -0.185952D+01  0.103247D+02
      5  -0.224107D+01 -0.846144D-01 -0.431823D+01  0.195330D+01  0.293708D+01
      6  -0.250529D+02 -0.488363D+01  0.177515D+02 -0.112029D+02  0.249849D+00
                91            92            93            94            95 
      1   0.837951D+01 -0.198288D+02  0.140549D+01 -0.138047D+02  0.346277D+02
      2  -0.132998D+02  0.424334D+02 -0.819953D+01  0.244711D+02 -0.635577D+02
      3   0.492026D+01 -0.226046D+02  0.679404D+01 -0.106664D+02  0.289301D+02
      4  -0.910673D+00 -0.209390D+02  0.134904D+02 -0.130688D+02  0.373362D+02
      5   0.121182D+01  0.794566D+01 -0.525830D+01  0.327160D+01 -0.283166D+01
      6   0.166496D+02 -0.980145D+01 -0.150080D+02 -0.434166D+01  0.264921D+02
                96            97            98            99           100 
      1  -0.742103D+01  0.884907D-01  0.547652D+01  0.412911D+01 -0.102441D+02
      2   0.141618D+02 -0.412174D+01 -0.572691D+01 -0.478686D+01  0.141257D+02
      3  -0.674078D+01  0.403325D+01  0.250389D+00  0.657757D+00 -0.388164D+01
      4  -0.325593D+01  0.788915D+01 -0.319714D+01 -0.103006D+02  0.152008D+02
      5   0.429488D+00 -0.470451D+01 -0.197721D+01  0.350612D+01  0.318645D+01
      6  -0.564010D+01 -0.172040D+02 -0.112826D+02 -0.121656D+00 -0.122339D+02
               101           102           103           104           105 
      1   0.520914D+01 -0.284512D+01 -0.970773D+01 -0.396359D+02  0.940976D+01
      2   0.793842D+01  0.255954D+01  0.529356D+01  0.547267D+02  0.936095D+00
      3  -0.131476D+02  0.285586D+00  0.441417D+01 -0.150909D+02 -0.103459D+02
      4  -0.293202D+01 -0.156810D+02  0.440602D+01 -0.199767D+02  0.441520D+01
      5  -0.122307D+02  0.275885D+00 -0.152870D+00  0.515571D+01 -0.339613D+01
      6   0.462819D+01 -0.393421D+01  0.102991D+01 -0.231794D+02  0.101621D+02
               106           107           108           109           110 
      1  -0.163273D+01 -0.334907D+01 -0.989816D+01  0.200904D+02 -0.120895D+02
      2   0.408660D+00 -0.936912D+00  0.877513D+01 -0.148499D+02 -0.142576D+02
      3   0.122407D+01  0.428598D+01  0.112304D+01 -0.524047D+01  0.263470D+02
      4  -0.723751D+01  0.686766D+01  0.209074D+01 -0.361857D+02  0.187670D+02
      5  -0.118977D+01 -0.174925D+01  0.457449D+01  0.461901D+01  0.484740D+01
      6  -0.619037D+01  0.973701D+01 -0.105790D+01  0.754717D+01  0.715259D+01
               111           112           113           114           115 
      1  -0.261631D+01 -0.475020D+02  0.128277D+02  0.730379D+01 -0.338711D+02
      2  -0.307134D+00  0.686581D+01 -0.143155D+02 -0.814531D+00  0.482999D+01
      3   0.292345D+01  0.406362D+02  0.148784D+01 -0.648926D+01  0.290411D+02
      4   0.818821D+01  0.253156D+02 -0.190063D+02 -0.232516D+01  0.108060D+02
      5   0.465684D+01 -0.244399D+01 -0.301118D+01 -0.576567D+00  0.148289D+02
      6   0.212021D+01 -0.143640D+01  0.252253D+01  0.633805D+01 -0.255257D+01
               116           117           118           119           120 
      1  -0.268712D+01  0.532129D+01  0.691602D+02  0.154523D+02  0.133213D+02
      2   0.110557D+02  0.910487D+00 -0.400512D+02 -0.148333D+02 -0.188743D+02
      3  -0.836863D+01 -0.623178D+01 -0.291090D+02 -0.618964D+00  0.555300D+01
      4  -0.140156D+02 -0.109364D+02  0.266679D+02  0.132466D+02  0.622345D+01
      5  -0.679237D+01 -0.552561D+01  0.371691D+02  0.657725D+01  0.188873D+02
      6   0.448117D+01  0.137675D+01  0.637277D+01  0.675939D+01  0.655964D+01
               121           122           123           124           125 
      1   0.425215D+02  0.570456D+01 -0.117281D+02  0.263828D+02 -0.108818D+02
      2  -0.744042D+01  0.746487D+01  0.682957D+01 -0.451699D+01  0.894709D+01
      3  -0.350811D+02 -0.131694D+02  0.489856D+01 -0.218658D+02  0.193468D+01
      4   0.302051D+01  0.139978D+02  0.621858D+01 -0.183133D+02  0.445844D+01
      5  -0.910578D+01  0.675881D+01  0.348907D+00  0.385850D+01  0.269277D+01
      6   0.824249D+01  0.788809D+00 -0.897892D+00 -0.287630D+01  0.367589D+00
               126           127           128           129           130 
      1  -0.486452D+01 -0.347422D+01 -0.115784D+02 -0.275413D+02  0.195692D+01
      2  -0.265497D+01 -0.498298D+01  0.115775D+02 -0.104217D+02  0.483470D+01
      3   0.751949D+01  0.845720D+01  0.864156D-03  0.379629D+02 -0.679162D+01
      4   0.607862D+01 -0.220970D+02 -0.124191D+01 -0.216939D+00  0.440382D+01
      5   0.621840D+01  0.143197D+01 -0.636277D+00  0.203781D+02  0.167826D+01
      6  -0.618424D+01  0.275103D+01  0.173218D+01 -0.812601D+01  0.190608D+00
               131           132           133           134           135 
      1  -0.230105D+01 -0.508817D+01  0.863456D+01  0.167559D+02 -0.588983D+01
      2   0.912384D+01 -0.196369D+01 -0.277613D+02 -0.102561D+02 -0.308755D+02
      3  -0.682279D+01  0.705186D+01  0.191268D+02 -0.649982D+01  0.367653D+02
      4  -0.227953D+01 -0.147214D+01  0.116738D+02  0.289854D+01 -0.133038D+01
      5  -0.932194D+00 -0.767320D+01  0.287015D+02 -0.273998D+00  0.353764D+02
      6  -0.395613D+01 -0.943148D+01  0.459121D+01 -0.490941D+01 -0.186931D+01
               136           137           138           139           140 
      1  -0.228290D+01  0.564621D+01  0.839635D+01  0.467101D+01  0.104092D+02
      2   0.625034D+01  0.146626D+01 -0.771940D+01 -0.107749D+01 -0.197648D+02
      3  -0.396744D+01 -0.711247D+01 -0.676952D+00 -0.359352D+01  0.935553D+01
      4   0.204000D+01  0.102876D+02  0.380632D+01  0.838037D+01 -0.273083D+01
      5   0.518638D+01  0.289749D+01  0.265619D+01 -0.571639D+00  0.113509D+01
      6   0.825506D+00 -0.150442D+01 -0.112882D+02  0.366650D+01 -0.508696D+01
               141           142           143           144           145 
      1   0.286033D+02 -0.122710D+01  0.241938D+02 -0.220437D+02 -0.215497D+02
      2   0.657263D+01 -0.542202D+01 -0.128990D+02 -0.152108D+02  0.526816D+00
      3  -0.351759D+02  0.664912D+01 -0.112948D+02  0.372545D+02  0.210229D+02
      4   0.140094D+00  0.673596D+01  0.765969D+01 -0.655790D+01  0.252232D+02
      5  -0.158592D+02 -0.204010D+00 -0.644843D+01  0.208769D+02  0.169649D+01
      6   0.171907D+02 -0.328251D+01  0.159348D+02 -0.196852D+02 -0.484199D+00
               146           147           148           149           150 
      1   0.483411D+01  0.110160D+02  0.123428D+02 -0.198911D+02  0.685453D+01
      2   0.172125D+02 -0.607793D+01  0.196041D+02 -0.132910D+02 -0.423184D+01
      3  -0.220466D+02 -0.493806D+01 -0.319469D+02  0.331821D+02 -0.262268D+01
      4  -0.323284D+02  0.627286D+01 -0.581207D+02  0.494707D+02 -0.133521D+00
      5   0.106505D+02  0.394879D+01  0.114946D+02 -0.184045D+01  0.389465D+01
      6  -0.621339D+01 -0.780734D+01  0.225651D+00  0.646787D+00 -0.704537D+01
               151           152           153           154           155 
      1   0.152708D+02  0.192687D+02  0.154945D+02 -0.510273D+01  0.222312D+02
      2  -0.134801D+02 -0.219251D+01 -0.761078D+01  0.458509D+01 -0.204900D+02
      3  -0.179062D+01 -0.170762D+02 -0.788367D+01  0.517645D+00 -0.174115D+01
      4   0.170968D+02 -0.107468D+02  0.711899D+01  0.288625D+02 -0.257905D+01
      5   0.228909D+01  0.918192D+01  0.439133D+01  0.307596D+02 -0.338676D+02
      6  -0.366913D+01 -0.889170D+01 -0.947482D+01 -0.107595D+02  0.308379D+01
               156           157           158           159           160 
      1   0.201002D+02  0.285615D+02  0.579269D+01 -0.406944D+02  0.163698D+02
      2  -0.101190D+02 -0.239513D+02  0.216212D+01  0.185369D+02 -0.742251D+01
      3  -0.998125D+01 -0.461022D+01 -0.795482D+01  0.221575D+02 -0.894728D+01
      4  -0.334366D+02 -0.319951D+01 -0.212376D+01  0.184605D+02 -0.405080D+02
      5  -0.223870D+02 -0.465849D+02  0.156272D+02 -0.238863D+00 -0.224745D+02
      6   0.920799D+01  0.660919D+01 -0.130527D+01 -0.551016D+01  0.110221D+02
               161           162           163           164           165 
      1  -0.363362D+02 -0.143269D+02 -0.558250D+02 -0.325038D+02 -0.502668D+01
      2   0.146286D+02  0.110417D+02  0.237976D+02  0.153980D+02  0.474909D+01
      3   0.217076D+02  0.328515D+01  0.320274D+02  0.171057D+02  0.277590D+00
      4   0.166339D+02 -0.153844D+01 -0.366901D+02 -0.204934D+02  0.312842D+02
      5  -0.164246D+01  0.190501D+02 -0.431572D+01  0.307492D+02  0.197718D+01
      6  -0.422094D+01 -0.119078D+01  0.777808D+01  0.655492D+00  0.280650D+01
               166           167           168           169           170 
      1  -0.506458D+02 -0.313880D+02  0.437465D+02 -0.230352D+01  0.433300D+02
      2   0.230728D+02  0.155252D+02 -0.217646D+02  0.229070D+01 -0.232714D+02
      3   0.275730D+02  0.158628D+02 -0.219818D+02  0.128229D-01 -0.200586D+02
      4  -0.379249D+02  0.345900D+01 -0.104050D+02  0.480407D+02 -0.763812D+01
      5   0.470783D+02 -0.106408D+02  0.213273D+02 -0.111629D+02  0.200153D+02
      6  -0.305261D+01  0.456227D+01 -0.300129D+01  0.393740D+01 -0.313033D+01
               171           172           173           174           175 
      1  -0.663422D+01 -0.203251D+02  0.415065D+01  0.344125D+01 -0.175952D+01
      2   0.314001D+01  0.134341D+02  0.990339D+00 -0.186601D+01 -0.294331D+01
      3   0.349420D+01  0.689106D+01 -0.514099D+01 -0.157523D+01  0.470283D+01
      4   0.191378D+02 -0.163604D+01 -0.657367D+01 -0.200602D+02 -0.223545D+02
      5  -0.738743D+01 -0.903954D+01 -0.204916D+02 -0.220549D+02 -0.272267D+02
      6   0.480036D+01 -0.601086D+01 -0.679932D+01 -0.712936D+01 -0.869053D+01
               176           177           178           179           180 
      1  -0.457443D+01 -0.214630D+02  0.133278D+02 -0.164703D+02 -0.932846D+01
      2  -0.438972D+01  0.176291D+02  0.230052D+01  0.194497D+02  0.817925D+01
      3   0.896415D+01  0.383388D+01 -0.156283D+02 -0.297935D+01  0.114921D+01
      4  -0.257781D+02 -0.133606D+01 -0.210289D+02  0.284678D+01 -0.282399D+02
      5  -0.117445D+01 -0.187315D+02 -0.316134D+02 -0.298455D+02 -0.321089D+02
      6  -0.278721D+01 -0.724038D+01 -0.151446D+02 -0.101244D+02 -0.144774D+02
               181           182           183           184           185 
      1  -0.642643D+02  0.102193D+01 -0.140356D+02  0.210818D+01  0.139446D+02
      2   0.455977D+02 -0.438918D+00  0.314927D+02 -0.304596D+00 -0.185729D+02
      3   0.186666D+02 -0.583007D+00 -0.174571D+02 -0.180359D+01  0.462825D+01
      4   0.145503D+01 -0.163481D+02  0.399943D+00 -0.129605D+02 -0.174680D+01
      5  -0.362953D+02  0.348650D+00 -0.385501D+02 -0.545501D+00 -0.693798D+01
      6  -0.273864D-01 -0.687416D+00 -0.805461D+00 -0.934712D+01  0.875320D-01
               186           187           188           189           190 
      1   0.495699D-01 -0.240920D+02  0.464027D+00  0.177912D+02  0.305439D+02
      2  -0.100189D+01  0.385265D+02  0.383589D-01  0.217201D+02 -0.121376D+02
      3   0.952323D+00 -0.144345D+02 -0.502386D+00 -0.395113D+02 -0.184063D+02
      4  -0.420448D+01  0.187285D+01 -0.124898D+02 -0.435027D+00 -0.245032D+02
      5  -0.145250D+01 -0.248642D+02  0.496897D+00 -0.338081D+02 -0.138991D+02
      6  -0.215812D+02 -0.400990D+00 -0.915923D+01 -0.193969D+00  0.113834D+02
               191           192           193           194           195 
      1  -0.847676D+00 -0.117669D+01 -0.203737D+01 -0.501336D+02 -0.183584D+02
      2  -0.597500D+01  0.256071D+01 -0.100782D+02  0.800108D+02  0.162174D+02
      3   0.682267D+01 -0.138402D+01  0.121155D+02 -0.298773D+02  0.214100D+01
      4   0.274138D+02  0.115136D+02  0.266909D+02 -0.295825D+02 -0.111585D+02
      5   0.111581D+02  0.205553D+02  0.362985D+01 -0.124008D+02 -0.711634D+01
      6  -0.524715D+01 -0.841993D+01 -0.900012D+01  0.351854D+02  0.330635D+02
               196           197           198           199           200 
      1   0.384425D+00 -0.196662D+02 -0.263530D+02  0.335824D+02 -0.619283D+00
      2   0.493355D+01  0.901488D+01 -0.279278D+01 -0.166939D+02  0.727002D+01
      3  -0.531798D+01  0.106513D+02  0.291457D+02 -0.168884D+02 -0.665073D+01
      4   0.821994D+01 -0.695596D+01 -0.135468D+02  0.222853D+02  0.247655D+02
      5   0.212195D+02 -0.131710D+02 -0.190679D+02 -0.169831D+02 -0.101995D+02
      6  -0.131495D+02  0.352076D+02  0.372540D+02 -0.105032D+02 -0.603902D+01
               201           202           203           204           205 
      1  -0.123558D+01 -0.218968D+01 -0.425189D+02  0.189518D+02  0.142408D+01
      2   0.441930D+01  0.113773D+02  0.652864D+02 -0.156652D+02  0.638976D+01
      3  -0.318372D+01 -0.918765D+01 -0.227674D+02 -0.328666D+01 -0.781384D+01
      4  -0.109528D+02  0.262150D+02  0.300184D+02 -0.135724D+02 -0.801957D+01
      5   0.245019D+02 -0.424779D+01 -0.146808D+02  0.874322D+01  0.249848D+02
      6   0.895221D+01 -0.111855D+02 -0.360734D+02  0.333725D+02  0.141506D+02
               206           207           208           209           210 
      1   0.212791D+02 -0.279886D+02 -0.780683D+01  0.639099D+01  0.186765D+02
      2  -0.967614D+01 -0.912410D+01 -0.779677D+01  0.125249D+01  0.100924D+02
      3  -0.116030D+02  0.371127D+02  0.156036D+02 -0.764348D+01 -0.287689D+02
      4  -0.848719D+01  0.144036D+02 -0.356501D+01  0.169055D+01  0.316109D+01
      5   0.138340D+02 -0.253101D+02 -0.105280D+02  0.306662D+01  0.111669D+02
      6   0.333245D+02 -0.386318D+02  0.833779D+01 -0.708537D+01 -0.138660D+02
               211           212           213           214           215 
      1   0.282329D+01 -0.345618D+01 -0.774212D+00  0.979373D+01 -0.221388D+01
      2  -0.107945D+01  0.448639D+00  0.272388D+01  0.486357D+01 -0.861730D+00
      3  -0.174385D+01  0.300754D+01 -0.194967D+01 -0.146573D+02  0.307560D+01
      4   0.122790D+01 -0.198403D+01 -0.127737D+01  0.145772D+01 -0.189432D+01
      5   0.263469D+01 -0.252077D+01 -0.338249D+01  0.825306D+01 -0.261998D+01
      6  -0.404876D+01  0.441833D+01  0.493728D+01 -0.519378D+01  0.453453D+01
               216           217           218           219           220 
      1  -0.165832D+02  0.327560D+00 -0.181596D+01  0.465418D+01  0.180875D+01
      2  -0.111503D+02 -0.104791D+00 -0.102523D+01  0.358810D+01  0.286233D+01
      3   0.277334D+02 -0.222769D+00  0.284119D+01 -0.824228D+01 -0.467109D+01
      4  -0.265181D+01 -0.211531D+01  0.178742D+01 -0.165605D+01  0.518518D+01
      5  -0.117036D+02  0.902368D+00 -0.257096D+01  0.138609D+01 -0.810619D+01
      6   0.760358D+01 -0.273916D+01  0.110265D+01  0.896449D+00  0.624816D+01
               221           222           223           224           225 
      1  -0.156831D+02  0.187827D+02  0.247239D+00  0.122006D+02 -0.207090D+02
      2   0.273951D+00  0.561506D+01 -0.578301D+00  0.239443D+01 -0.624947D+01
      3   0.154092D+02 -0.243977D+02  0.331062D+00 -0.145950D+02  0.269585D+02
      4  -0.105135D+02  0.108009D+02 -0.252536D+01  0.425490D+01 -0.602534D+01
      5   0.123089D+02 -0.166922D+02  0.282353D+01 -0.733329D+01  0.106202D+02
      6  -0.224798D+02  0.253623D+02 -0.226088D+01  0.156648D+02 -0.208888D+02
               226           227           228           229           230 
      1  -0.301970D+00  0.645956D+00 -0.720655D+01 -0.111807D+02 -0.561348D+01
      2  -0.228862D+01 -0.828821D+00  0.152191D+01  0.809371D+01  0.583233D+01
      3   0.259059D+01  0.182864D+00  0.568464D+01  0.308698D+01 -0.218850D+00
      4  -0.351230D+01 -0.124798D+01 -0.347761D+00 -0.760196D+00  0.470945D+01
      5  -0.231004D+01  0.180070D+01 -0.913417D+00  0.123134D+01 -0.324498D+01
      6  -0.110338D+00  0.112822D+01 -0.317229D+01 -0.482155D+00 -0.286844D+01
               231           232           233           234           235 
      1   0.125957D+01 -0.200827D+02  0.457404D+00 -0.137784D+02  0.489282D+00
      2  -0.500525D+01  0.106826D+02  0.177255D-01 -0.112591D+02  0.611811D+01
      3   0.374568D+01  0.940006D+01 -0.475129D+00  0.250376D+02 -0.660739D+01
      4  -0.414929D+01 -0.106404D+02 -0.649371D+01  0.384661D+01  0.855939D+01
      5  -0.325578D+01  0.115578D+02  0.593558D+01 -0.290762D+02 -0.154570D+00
      6   0.182292D+01  0.214372D+01  0.662771D+01 -0.158857D+02  0.272873D+00
               236           237           238           239           240 
      1   0.448883D+01  0.937662D+00  0.940247D+01 -0.247776D+02  0.828652D+00
      2   0.624007D+00 -0.976769D+00  0.565836D+01  0.533306D+02 -0.479130D+01
      3  -0.511284D+01  0.391072D-01 -0.150608D+02 -0.285530D+02  0.396265D+01
      4   0.128391D+02 -0.469086D+00  0.236369D+02  0.591994D+02 -0.877416D+01
      5  -0.749528D+00 -0.475569D+00 -0.617850D+01 -0.512719D+01  0.473929D+01
      6  -0.127021D+01 -0.397383D+00 -0.459332D+01 -0.125638D+02  0.687011D+01
               241           242           243           244           245 
      1   0.122402D+01  0.210804D+00 -0.535984D+01  0.559907D+02  0.191579D+02
      2  -0.617058D+00  0.177987D+01  0.385206D+01 -0.329089D+02 -0.986687D+01
      3  -0.606963D+00 -0.199068D+01  0.150778D+01 -0.230817D+02 -0.929105D+01
      4   0.163408D+00  0.538027D+00  0.562805D+01  0.314486D+02  0.179352D+02
      5   0.167136D+01  0.607323D+01 -0.218847D+01 -0.435006D+02 -0.132517D+02
      6   0.144819D+01  0.773664D+01 -0.236833D+01 -0.100695D+02 -0.486702D+01
               246           247           248           249           250 
      1  -0.288404D+02  0.193068D+02  0.111446D+02 -0.643465D+01 -0.467658D+02
      2   0.194023D+02 -0.824903D+01 -0.493974D+01  0.295794D+01  0.335373D+02
      3   0.943812D+01 -0.110578D+02 -0.620490D+01  0.347672D+01  0.132285D+02
      4  -0.153958D+02  0.248081D+02  0.154675D+02 -0.160552D+02 -0.275070D+02
      5   0.330415D+02 -0.151323D+02 -0.154169D+02  0.152677D+02  0.589363D+02
      6   0.760030D+01 -0.795888D+01 -0.687799D+01  0.913418D+01  0.149791D+02
               251           252           253           254           255 
      1  -0.113403D+02  0.317801D+02  0.447773D+02  0.182467D+02  0.179591D+02
      2   0.770415D+01 -0.284093D+02 -0.202049D+02 -0.711145D+01 -0.801151D+01
      3   0.363610D+01 -0.337081D+01 -0.245724D+02 -0.111352D+02 -0.994756D+01
      4  -0.205608D+02  0.276365D+02  0.276922D+02  0.174898D+02  0.967560D+01
      5   0.243552D+02 -0.545149D+02  0.205070D+02  0.696072D+01  0.185891D+02
      6   0.102859D+02 -0.150808D+02  0.495135D+01  0.208059D+01  0.458363D+01
               256           257           258           259           260 
      1   0.233196D+02  0.124841D+02  0.472343D+01  0.417387D+02  0.127362D+02
      2  -0.776824D+01 -0.139620D+01  0.928557D+00 -0.185173D+02 -0.279666D+01
      3  -0.155514D+02 -0.110879D+02 -0.565198D+01 -0.232214D+02 -0.993957D+01
      4   0.249585D+02  0.188070D+02  0.130674D+02  0.249933D+02  0.227755D+02
      5   0.780846D+01  0.117348D+02  0.115878D+02  0.337564D+02  0.188269D+02
      6   0.400692D+01  0.516893D+01  0.599268D+01  0.100314D+02  0.641102D+01
               261           262           263           264           265 
      1   0.245021D+02 -0.168178D+02 -0.116692D+02 -0.964591D+01 -0.158275D+02
      2  -0.120213D+02  0.899069D+01  0.490235D+01  0.306009D+01  0.825935D+01
      3  -0.124808D+02  0.782709D+01  0.676684D+01  0.658583D+01  0.756818D+01
      4   0.221818D+02 -0.801263D+01 -0.256540D+01 -0.184148D+00  0.425735D+01
      5   0.313639D+02 -0.573656D+01 -0.445525D+00 -0.912888D+01  0.231639D+01
      6   0.909160D+01  0.420473D+01  0.865538D+00  0.288523D+01  0.150748D+01
               266           267           268           269           270 
      1  -0.395681D+01 -0.215565D+01 -0.155841D+02 -0.711993D+01 -0.148810D+02
      2   0.224380D+01  0.138105D+01  0.680216D+01  0.178327D+01 -0.190123D+01
      3   0.171301D+01  0.774600D+00  0.878194D+01  0.533666D+01  0.167822D+02
      4  -0.580598D+01 -0.715091D+01  0.771046D+00 -0.131216D+02 -0.114009D+02
      5  -0.707436D+01 -0.955162D+01  0.903194D+00 -0.124576D+02 -0.286699D+02
      6   0.444102D+01  0.677743D+01  0.701512D+00  0.748901D+01  0.105049D+02
               271           272           273           274           275 
      1   0.143483D+03 -0.428926D+02 -0.156746D+02 -0.405791D+02  0.261987D+02
      2  -0.694102D+02  0.185040D+02  0.868246D+01  0.151355D+02 -0.850798D+01
      3  -0.740733D+02  0.243886D+02  0.699212D+01  0.254437D+02 -0.176907D+02
      4  -0.586277D+02  0.320059D+02  0.599011D+01  0.386197D+02 -0.234295D+02
      5  -0.230533D+02  0.638027D+01  0.121754D+02  0.781485D+01 -0.485660D+01
      6   0.742083D+01 -0.397565D+01 -0.275394D+01 -0.460760D+01  0.288008D+01
               276           277           278           279           280 
      1   0.437538D+01 -0.442707D+01  0.116041D+01  0.113100D+02  0.683502D+02
      2  -0.220479D+01  0.324227D+01 -0.149112D+01 -0.650613D+01 -0.441676D+02
      3  -0.217059D+01  0.118481D+01  0.330703D+00 -0.480387D+01 -0.241827D+02
      4  -0.454449D+01  0.290555D+01 -0.173492D+01 -0.865575D+01 -0.187464D+02
      5  -0.664133D+01  0.169961D+02 -0.878180D+01 -0.450682D+01  0.527501D+02
      6   0.291587D+01 -0.387755D+01  0.298734D+01  0.194059D+01 -0.982707D+01
               281           282           283           284           285 
      1  -0.828730D+01  0.285133D+02  0.620950D+01  0.475693D+01  0.927024D-02
      2   0.494425D+01 -0.210954D+02 -0.670084D+01 -0.988594D+00 -0.278070D+01
      3   0.334306D+01 -0.741794D+01  0.491336D+00 -0.376834D+01  0.277143D+01
      4   0.100436D+02 -0.108957D+02  0.127256D+02 -0.774923D+01  0.784299D+01
      5  -0.102502D+02  0.393593D+02  0.403258D-01  0.900032D+01  0.273519D+01
      6   0.429600D+01 -0.825035D+01  0.438299D+01 -0.230809D+01  0.428216D+01
               286           287           288           289           290 
      1   0.469875D+02 -0.109466D+02  0.251534D+02 -0.210209D+01 -0.916421D+01
      2  -0.362246D+02  0.721791D+01 -0.281520D+02  0.296738D+01  0.630496D+01
      3  -0.107629D+02  0.372869D+01  0.299865D+01 -0.865294D+00  0.285925D+01
      4  -0.220502D+02  0.104725D+02 -0.127410D+02 -0.643779D+01  0.111557D+01
      5   0.583158D+02 -0.127677D+02  0.534227D+02  0.298632D+01 -0.308011D-02
      6  -0.136846D+02  0.716683D+01 -0.116992D+02  0.114819D+00 -0.268108D+01
               291           292           293           294           295 
      1   0.296838D+01 -0.151125D+02 -0.152359D+02  0.206028D+01  0.981359D+00
      2  -0.187967D+01 -0.149069D+00  0.357132D+02 -0.323219D+01 -0.238217D+01
      3  -0.108871D+01  0.152616D+02 -0.204773D+02  0.117191D+01  0.140081D+01
      4   0.307689D+00  0.210731D+02 -0.548000D+02  0.728087D+01 -0.248715D+01
      5   0.330740D+01 -0.406521D+01  0.968273D+01 -0.758107D+01  0.105965D+02
      6  -0.774475D-01  0.385236D+01 -0.122722D+02  0.666876D+01 -0.208073D+01
               296           297           298           299           300 
      1  -0.111064D+00  0.304148D+01 -0.533113D+01 -0.232722D+02 -0.467991D+01
      2   0.158684D+01 -0.776884D+00  0.182621D+02  0.486912D+02  0.726385D+01
      3  -0.147577D+01 -0.226460D+01 -0.129309D+02 -0.254190D+02 -0.258393D+01
      4  -0.117334D+01 -0.531531D+01  0.225869D+02  0.346400D+02  0.789654D+01
      5  -0.552543D+01  0.282267D+01  0.490880D+01  0.541460D+01  0.486294D+01
      6   0.512490D+01 -0.242269D+01  0.964421D+01  0.162450D+02  0.631201D+01
               301           302           303           304           305 
      1  -0.119896D+02 -0.483995D+02 -0.855844D+01 -0.135566D+01 -0.365483D+01
      2   0.251674D+02  0.911159D+02  0.139695D+02  0.194164D+01  0.270666D+01
      3  -0.131778D+02 -0.427164D+02 -0.541110D+01 -0.585973D+00  0.948171D+00
      4   0.205889D+02  0.397893D+02  0.653487D+01  0.377180D+01  0.451088D+01
      5   0.322641D+01  0.547191D+01  0.223551D+01  0.425137D+01  0.383258D+01
      6   0.795004D+01  0.266115D+02  0.122521D+02  0.399097D+01  0.168546D+02
               306           307           308           309           310 
      1  -0.726742D+01 -0.439216D+00  0.771033D+01  0.486934D+01  0.315593D+01
      2   0.978655D+01  0.260439D+01 -0.845114D+01 -0.347752D+01 -0.363097D+01
      3  -0.251913D+01 -0.216517D+01  0.740811D+00 -0.139182D+01  0.475038D+00
      4   0.533899D+01 -0.149307D+02  0.113328D+02  0.954295D+01  0.656372D+01
      5   0.289509D+01 -0.766473D+01  0.492377D+01  0.585233D+01  0.162440D+01
      6   0.667693D+01  0.135957D+02 -0.107390D+02 -0.154896D+02 -0.484998D+01
               311           312           313           314           315 
      1  -0.807948D+01 -0.584258D+01  0.471011D+01 -0.111921D+02 -0.103752D+02
      2   0.121751D+02  0.834328D+01 -0.183453D+01  0.112594D+02  0.324725D+01
      3  -0.409561D+01 -0.250069D+01 -0.287557D+01 -0.672646D-01  0.712795D+01
      4  -0.489938D+01 -0.312149D+01  0.932497D+01 -0.477341D+01 -0.857955D+01
      5  -0.242024D+01 -0.206156D+01  0.597603D+01 -0.348299D+01 -0.586014D+01
      6   0.121128D+02  0.939837D+01 -0.123440D+02  0.161164D+02  0.211609D+02
               316           317           318           319           320 
      1  -0.233787D+00 -0.684012D+01  0.480034D+01 -0.247112D+01 -0.748893D+01
      2   0.212023D+01  0.731685D+01 -0.285255D+01  0.298163D+01  0.110810D+02
      3  -0.188645D+01 -0.476725D+00 -0.194779D+01 -0.510512D+00 -0.359207D+01
      4   0.150533D+02  0.110085D+02 -0.100084D+02  0.606628D+01  0.465257D+01
      5  -0.822441D+01 -0.525760D+01  0.661956D+01 -0.161465D+01 -0.247864D+01
      6  -0.137793D+02 -0.106362D+02  0.159974D+02 -0.455222D+01 -0.113574D+02
               321           322           323           324           325 
      1   0.545312D+01  0.474318D+01  0.104039D+02 -0.997522D+01 -0.539361D+01
      2  -0.795361D+01 -0.174223D+01 -0.101917D+02  0.240618D+01  0.170339D+02
      3   0.250048D+01 -0.300095D+01 -0.212205D+00  0.756904D+01 -0.116403D+02
      4  -0.304929D+01 -0.928365D+01 -0.505827D+01  0.886446D+01 -0.208683D+02
      5   0.198296D+01  0.642922D+01  0.384729D+01 -0.670184D+01  0.496045D+01
      6   0.884951D+01  0.123407D+02  0.155942D+02 -0.210755D+02 -0.977118D+01
               326           327           328           329           330 
      1   0.240801D+02 -0.518291D+01  0.115501D+02 -0.497001D+02  0.934825D+01
      2  -0.481791D+02  0.789051D+01 -0.233487D+02  0.909693D+02 -0.150523D+02
      3   0.240990D+02 -0.270760D+01  0.117986D+02 -0.412692D+02  0.570407D+01
      4   0.329946D+02 -0.818211D+01  0.191171D+02 -0.369958D+02  0.674065D+01
      5  -0.569213D+01  0.488037D+01 -0.342971D+01  0.553619D+01 -0.225068D+01
      6   0.171123D+02 -0.675340D+01  0.806094D+01 -0.283649D+02  0.129205D+02
               331           332           333           334           335 
      1  -0.172833D+01  0.484902D+01 -0.769893D+01 -0.745945D+01 -0.574605D+01
      2   0.245366D+01 -0.419326D+01  0.996792D+01 -0.802207D+01 -0.991842D+00
      3  -0.725329D+00 -0.655763D+00 -0.226899D+01  0.154815D+02  0.673789D+01
      4  -0.390763D+01  0.513579D+01 -0.514808D+01  0.400187D+01  0.206588D+01
      5   0.416459D+01 -0.376082D+01  0.291695D+01 -0.124292D+02 -0.325468D+01
      6  -0.395329D+01  0.173044D+02 -0.747884D+01 -0.811996D+01 -0.649223D+01
               336           337           338           339           340 
      1   0.172907D+02 -0.223196D+01 -0.263871D+01  0.685979D-02  0.911318D+01
      2   0.103940D+02  0.122870D+01  0.155080D+00 -0.306916D+01  0.542962D+01
      3  -0.276846D+02  0.100326D+01  0.248363D+01  0.306230D+01 -0.145428D+02
      4  -0.337854D+01  0.178890D+01  0.195358D+01 -0.139161D+01 -0.187817D+01
      5   0.126416D+02 -0.220816D+01 -0.272474D+01  0.281782D+01  0.899347D+01
      6   0.127395D+02 -0.392360D+01 -0.382045D+01  0.420615D+01  0.488563D+01
               341           342           343           344           345 
      1   0.134946D+01 -0.145835D+02 -0.696543D+00  0.196714D+01  0.489675D+01
      2   0.780555D+00 -0.104801D+02  0.487074D-01  0.118388D+01  0.345410D+01
      3  -0.213001D+01  0.250636D+02  0.647835D+00 -0.315102D+01 -0.835085D+01
      4  -0.185307D+01  0.276812D+01  0.249435D+01  0.183508D+01  0.203944D+01
      5   0.263750D+01 -0.124432D+02  0.132160D+01  0.314010D+01  0.190120D+01
      6   0.404953D+01 -0.594671D+01  0.345587D+01  0.102142D+01 -0.987087D+00
               346           347           348           349           350 
      1  -0.113429D+01 -0.163519D+02 -0.195696D+02  0.210086D+00 -0.124627D+02
      2  -0.299725D+01  0.589863D+00 -0.538512D+01 -0.296074D+00 -0.185712D+01
      3   0.413154D+01  0.157620D+02  0.249547D+02  0.859884D-01  0.143199D+02
      4   0.446346D+01  0.987979D+01  0.999869D+01  0.283268D+01  0.366929D+01
      5   0.757104D+01  0.112446D+02  0.157950D+02  0.256179D+01  0.695548D+01
      6   0.546848D+01  0.225356D+02  0.253828D+02  0.236318D+01  0.159425D+02
               351           352           353           354           355 
      1  -0.206591D+02  0.288345D+02 -0.135696D+02 -0.782517D+00 -0.186371D+02
      2  -0.530337D+01 -0.195997D+00 -0.822754D+01  0.168420D+01 -0.142282D+02
      3   0.259625D+02 -0.286385D+02  0.217971D+02 -0.901685D+00  0.328653D+02
      4   0.567812D+01 -0.384284D+02  0.364378D+02 -0.307040D+01  0.541848D+02
      5   0.882177D+01  0.485378D+00 -0.442718D+01  0.483024D+01  0.118165D+01
      6   0.207844D+02 -0.216669D+01  0.807283D+00 -0.934980D+00 -0.884844D+00
               356           357           358           359           360 
      1   0.511107D+01  0.299896D+01  0.907758D+01 -0.361385D+01 -0.291157D+01
      2   0.341863D+02 -0.330356D+01  0.194520D+01 -0.858524D+01  0.384321D+01
      3  -0.392974D+02  0.304607D+00 -0.110228D+02  0.121991D+02 -0.931640D+00
      4  -0.676205D+02  0.868838D+00 -0.183237D+02  0.193490D+02 -0.878065D+01
      5   0.422176D+01 -0.730297D+01  0.604378D+01 -0.947066D+01  0.497331D+01
      6  -0.107110D+01  0.628477D+01 -0.388868D+01  0.891351D+01 -0.280872D+01
               361           362           363           364           365 
      1  -0.137344D+02 -0.749389D+01 -0.831244D+01 -0.684561D+01 -0.703334D+01
      2   0.878063D+01  0.376684D+01  0.430801D+01  0.953264D+00  0.964016D+01
      3   0.495373D+01  0.372705D+01  0.400444D+01  0.589235D+01 -0.260682D+01
      4   0.179004D+01  0.248437D+01 -0.114395D+01  0.101448D+02 -0.122668D+02
      5  -0.417811D+00 -0.273547D+01 -0.187951D+01  0.597412D+00 -0.522753D+01
      6   0.277850D+01  0.428845D+01  0.543288D+01  0.896369D+00  0.862538D+01
               366           367           368           369           370 
      1  -0.740336D+01 -0.140428D+02 -0.140612D+02 -0.165421D+02  0.705259D+02
      2   0.576039D+01  0.919961D+01  0.670949D+01  0.252518D+01 -0.412640D+02
      3   0.164297D+01  0.484322D+01  0.735167D+01  0.140169D+02 -0.292619D+02
      4  -0.553312D+01  0.687229D+00 -0.613627D+01 -0.891399D+01 -0.365806D+02
      5  -0.512863D+01  0.485764D+01 -0.102164D+02 -0.171646D+02 -0.522851D+02
      6   0.900989D+01  0.361939D+00  0.134309D+02  0.186459D+02  0.121516D+02
               371           372           373           374           375 
      1  -0.208845D+02 -0.314543D+02 -0.281446D+02  0.131590D+02  0.144058D+02
      2   0.115646D+02  0.219897D+02  0.150058D+02 -0.551661D+01 -0.912694D+01
      3   0.931990D+01  0.946461D+01  0.131388D+02 -0.764236D+01 -0.527882D+01
      4   0.204080D+02  0.218123D+02  0.296576D+02 -0.240837D+02 -0.204619D+02
      5   0.207247D+02  0.375018D+02  0.278350D+02 -0.198217D+02 -0.199104D+02
      6  -0.639994D+01 -0.809844D+01 -0.108908D+02  0.907814D+01  0.102700D+02
               376           377           378           379           380 
      1  -0.279668D+02  0.100844D+02  0.215193D+02 -0.174393D+02  0.577673D+01
      2   0.225125D+02 -0.765282D+01 -0.206534D+02  0.756876D+01  0.267944D+00
      3   0.545432D+01 -0.243158D+01 -0.865877D+00  0.987051D+01 -0.604468D+01
      4   0.209867D+02 -0.136280D+02 -0.183651D+02  0.572339D+01 -0.420424D+01
      5   0.433122D+02 -0.169145D+02 -0.405680D+02 -0.446590D+01  0.287614D+01
      6  -0.106525D+02  0.815266D+01  0.104538D+02 -0.260699D+01  0.735873D+00
               381           382           383           384           385 
      1  -0.798330D+01  0.158664D+02 -0.885753D+01  0.102603D+02 -0.119178D+02
      2   0.111881D+01 -0.771666D+01  0.184567D+01  0.124103D+00  0.551788D+01
      3   0.686449D+01 -0.814971D+01  0.701187D+01 -0.103844D+02  0.639990D+01
      4   0.391297D+01 -0.218425D+01  0.140508D+02 -0.101402D+02  0.401019D+01
      5  -0.986929D+00  0.262473D+01 -0.892175D+01  0.157827D+02  0.649813D+01
      6  -0.831609D+00  0.107183D+01 -0.647227D+01  0.525720D+01 -0.212648D+01
               386           387           388           389           390 
      1   0.823625D+01 -0.795122D+01  0.123573D+03  0.392508D+02 -0.127986D+02
      2   0.457448D+00 -0.754955D+01 -0.587592D+02 -0.169467D+02  0.643069D+01
      3  -0.869370D+01  0.155008D+02 -0.648138D+02 -0.223041D+02  0.636792D+01
      4  -0.860805D+01  0.794406D+01  0.482529D+02  0.273875D+02 -0.796174D+01
      5   0.794824D+01 -0.237296D+02 -0.147492D+02 -0.720859D+01  0.126892D+02
      6   0.566949D+01 -0.451266D+01 -0.479024D+01 -0.157446D+01  0.157241D+01
               391           392           393           394           395 
      1   0.633717D+02  0.327986D+02 -0.100218D+02 -0.318352D+02 -0.137656D+02
      2  -0.266094D+02 -0.114664D+02  0.447235D+01  0.156720D+02  0.658175D+01
      3  -0.367622D+02 -0.213322D+02  0.554946D+01  0.161631D+02  0.718382D+01
      4   0.453909D+02  0.317338D+02 -0.440056D+01 -0.171694D+02 -0.753008D+01
      5  -0.119283D+02 -0.391337D+01  0.627873D+01  0.227277D+02  0.665746D+01
      6  -0.303899D+01 -0.273897D+01  0.298492D+01  0.421423D+01  0.362371D+01
               396           397           398           399           400 
      1   0.161149D+02  0.500438D+02 -0.123957D+02  0.180087D+02 -0.334133D+02
      2  -0.869955D+01 -0.261207D+02  0.617134D+01 -0.105629D+02  0.160973D+02
      3  -0.741531D+01 -0.239231D+02  0.622436D+01 -0.744577D+01  0.173160D+02
      4   0.683471D+01 -0.167493D+02  0.145434D+02 -0.105261D+02  0.312067D+02
      5  -0.100443D+02  0.234154D+02 -0.107831D+02  0.151772D+02 -0.241669D+02
      6  -0.236803D+01 -0.486697D+01  0.251285D+01 -0.280182D+01  0.636284D+01
               401           402           403           404           405 
      1   0.204378D+02 -0.173796D+02  0.358541D+02 -0.145414D+02  0.182555D+02
      2  -0.841762D+01  0.891347D+01 -0.221669D+02  0.927977D+01 -0.143323D+02
      3  -0.120202D+02  0.846613D+01 -0.136872D+02  0.526159D+01 -0.392323D+01
      4  -0.288516D+02  0.167736D+02 -0.198201D+02  0.153442D+02 -0.168958D+02
      5   0.169372D+02 -0.224158D+02  0.304245D+02 -0.169459D+02  0.330358D+02
      6  -0.656552D+01  0.634681D+01 -0.610642D+01  0.575086D+01 -0.634990D+01
               406           407           408           409           410 
      1  -0.176820D+01  0.456188D+01 -0.458042D+01  0.191201D+02 -0.499596D+01
      2   0.304983D+01 -0.272298D+01  0.310033D+01 -0.389503D+01  0.212608D+02
      3  -0.128164D+01 -0.183891D+01  0.148009D+01 -0.152251D+02 -0.162648D+02
      4   0.462601D+01  0.406638D+01 -0.108565D+01  0.209521D+02  0.382325D+02
      5  -0.497473D+01  0.372768D+00  0.191206D+01  0.517715D+01 -0.342342D+01
      6  -0.356698D+01 -0.124901D+01  0.103015D+01  0.270597D+01  0.108299D+00
               411           412           413           414           415 
      1   0.592523D+01 -0.244432D+02  0.379381D+01 -0.152193D+01  0.238105D+02
      2  -0.635526D+01  0.943862D+01 -0.950328D+01  0.321730D+01 -0.166848D+02
      3   0.430033D+00  0.150046D+02  0.570947D+01 -0.169538D+01 -0.712575D+01
      4  -0.382036D+01 -0.372036D+01 -0.141413D+02  0.922773D+01  0.174643D+02
      5   0.796348D+01  0.406932D+01  0.978954D+01 -0.419781D+01  0.280864D+02
      6   0.538524D+01  0.172763D+01  0.418935D+01 -0.141753D+01  0.958536D+01
               416           417           418           419           420 
      1   0.670449D+01  0.130486D+02  0.871655D+01  0.340265D+01  0.342897D+01
      2  -0.378863D+01 -0.936198D+01 -0.287001D+01  0.504932D-01 -0.189921D+01
      3  -0.291586D+01 -0.368663D+01 -0.584654D+01 -0.345314D+01 -0.152976D+01
      4   0.136712D+02  0.155588D+02  0.207437D+02  0.224320D+02  0.174908D+02
      5   0.156362D+02  0.252997D+02  0.169474D+02  0.184823D+02  0.173526D+02
      6   0.614006D+01  0.765799D+01  0.100042D+02  0.113532D+02  0.130194D+02
               421           422           423 
      1   0.236659D+02  0.551679D+01  0.568522D+01
      2  -0.196886D+02 -0.707759D+01 -0.166943D+02
      3  -0.397737D+01  0.156080D+01  0.110091D+02
      4   0.262133D+02  0.214183D+02  0.293948D+02
      5   0.423304D+02  0.304880D+02  0.553273D+02
      6   0.172159D+02  0.169083D+02  0.224867D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 29 23:52:56 2021, MaxMem= 16106127360 cpu:         2102024.8 elap:          131482.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.46973-101.46880 -10.19641 -10.19572 -10.19288
 Alpha  occ. eigenvalues --  -10.19256 -10.19084 -10.18973 -10.18965 -10.18914
 Alpha  occ. eigenvalues --  -10.18626 -10.18567 -10.18547 -10.18395 -10.18090
 Alpha  occ. eigenvalues --  -10.18057 -10.17412 -10.17360 -10.17054 -10.16959
 Alpha  occ. eigenvalues --  -10.16878 -10.16624  -9.40355  -9.40259  -7.16057
 Alpha  occ. eigenvalues --   -7.15963  -7.15906  -7.15818  -7.15808  -7.15722
 Alpha  occ. eigenvalues --   -2.14147  -1.27710  -1.27612  -1.27592  -0.90815
 Alpha  occ. eigenvalues --   -0.89668  -0.82747  -0.82075  -0.81026  -0.77081
 Alpha  occ. eigenvalues --   -0.76364  -0.75981  -0.75626  -0.72972  -0.72247
 Alpha  occ. eigenvalues --   -0.71244  -0.68298  -0.64533  -0.63715  -0.62630
 Alpha  occ. eigenvalues --   -0.59020  -0.58876  -0.55876  -0.55643  -0.51980
 Alpha  occ. eigenvalues --   -0.51594  -0.51078  -0.48569  -0.46903  -0.46577
 Alpha  occ. eigenvalues --   -0.46379  -0.45281  -0.44927  -0.44802  -0.44046
 Alpha  occ. eigenvalues --   -0.43924  -0.41645  -0.41352  -0.40474  -0.40045
 Alpha  occ. eigenvalues --   -0.39887  -0.39044  -0.38952  -0.38309  -0.37755
 Alpha  occ. eigenvalues --   -0.36807  -0.36715  -0.36227  -0.36076  -0.34221
 Alpha  occ. eigenvalues --   -0.33992  -0.33083  -0.32968  -0.32920  -0.32652
 Alpha  occ. eigenvalues --   -0.32351  -0.32030  -0.30986  -0.30211  -0.29746
 Alpha  occ. eigenvalues --   -0.28759  -0.25588  -0.24695  -0.24245  -0.23364
 Alpha virt. eigenvalues --   -0.06867  -0.02341  -0.02252  -0.01000  -0.00725
 Alpha virt. eigenvalues --    0.00114   0.00561   0.00898   0.01118   0.02102
 Alpha virt. eigenvalues --    0.02253   0.02407   0.02707   0.02997   0.03442
 Alpha virt. eigenvalues --    0.03980   0.04040   0.04369   0.04642   0.05174
 Alpha virt. eigenvalues --    0.05544   0.05690   0.06471   0.06661   0.06711
 Alpha virt. eigenvalues --    0.07294   0.07732   0.07993   0.08198   0.08355
 Alpha virt. eigenvalues --    0.08782   0.09179   0.09396   0.09993   0.10157
 Alpha virt. eigenvalues --    0.10465   0.10797   0.11251   0.11654   0.11788
 Alpha virt. eigenvalues --    0.12119   0.12211   0.12661   0.13089   0.13278
 Alpha virt. eigenvalues --    0.13455   0.13842   0.14484   0.14667   0.15065
 Alpha virt. eigenvalues --    0.15330   0.16050   0.16543   0.16651   0.16736
 Alpha virt. eigenvalues --    0.17026   0.17177   0.17275   0.17561   0.17980
 Alpha virt. eigenvalues --    0.18044   0.18277   0.18499   0.18896   0.18943
 Alpha virt. eigenvalues --    0.19374   0.19550   0.19649   0.19861   0.20178
 Alpha virt. eigenvalues --    0.20550   0.20687   0.20809   0.21064   0.21328
 Alpha virt. eigenvalues --    0.21586   0.21718   0.21831   0.21854   0.22370
 Alpha virt. eigenvalues --    0.22493   0.22734   0.22947   0.23111   0.23362
 Alpha virt. eigenvalues --    0.23738   0.23843   0.24003   0.24358   0.24526
 Alpha virt. eigenvalues --    0.24819   0.25063   0.25359   0.25542   0.25860
 Alpha virt. eigenvalues --    0.26059   0.26229   0.26645   0.26696   0.26962
 Alpha virt. eigenvalues --    0.27065   0.27337   0.27406   0.27530   0.27845
 Alpha virt. eigenvalues --    0.28050   0.28308   0.28401   0.28570   0.28934
 Alpha virt. eigenvalues --    0.29050   0.29361   0.29527   0.29885   0.30109
 Alpha virt. eigenvalues --    0.30359   0.30460   0.30788   0.30919   0.31142
 Alpha virt. eigenvalues --    0.31606   0.31725   0.31947   0.32253   0.32283
 Alpha virt. eigenvalues --    0.32404   0.32723   0.33109   0.33319   0.33581
 Alpha virt. eigenvalues --    0.33904   0.34074   0.34278   0.34502   0.34554
 Alpha virt. eigenvalues --    0.34912   0.34983   0.35217   0.35722   0.35745
 Alpha virt. eigenvalues --    0.35841   0.36187   0.36286   0.36362   0.36619
 Alpha virt. eigenvalues --    0.36895   0.37394   0.37512   0.37759   0.38078
 Alpha virt. eigenvalues --    0.38223   0.38521   0.38571   0.39103   0.39222
 Alpha virt. eigenvalues --    0.39553   0.39669   0.39908   0.40270   0.40309
 Alpha virt. eigenvalues --    0.40631   0.40809   0.40883   0.41004   0.41274
 Alpha virt. eigenvalues --    0.41474   0.41643   0.42163   0.42370   0.42476
 Alpha virt. eigenvalues --    0.42973   0.43442   0.43586   0.43875   0.44066
 Alpha virt. eigenvalues --    0.44326   0.44591   0.45062   0.45184   0.45477
 Alpha virt. eigenvalues --    0.45739   0.46029   0.46174   0.46531   0.46767
 Alpha virt. eigenvalues --    0.47049   0.47264   0.47964   0.48076   0.48319
 Alpha virt. eigenvalues --    0.48665   0.48736   0.49104   0.49323   0.49588
 Alpha virt. eigenvalues --    0.49893   0.50030   0.50249   0.50452   0.50679
 Alpha virt. eigenvalues --    0.50944   0.51172   0.51261   0.51377   0.51597
 Alpha virt. eigenvalues --    0.52183   0.52395   0.52581   0.52948   0.53081
 Alpha virt. eigenvalues --    0.53207   0.53717   0.53848   0.54377   0.54922
 Alpha virt. eigenvalues --    0.55112   0.55398   0.55551   0.55749   0.56016
 Alpha virt. eigenvalues --    0.56367   0.56806   0.57355   0.57558   0.57714
 Alpha virt. eigenvalues --    0.58024   0.58216   0.58505   0.58744   0.59192
 Alpha virt. eigenvalues --    0.59402   0.59623   0.59838   0.60055   0.60370
 Alpha virt. eigenvalues --    0.60572   0.61010   0.61179   0.61391   0.61662
 Alpha virt. eigenvalues --    0.62100   0.62639   0.62753   0.62822   0.63112
 Alpha virt. eigenvalues --    0.63329   0.63625   0.63859   0.64060   0.64308
 Alpha virt. eigenvalues --    0.64768   0.64935   0.65146   0.65464   0.65713
 Alpha virt. eigenvalues --    0.66071   0.66218   0.66590   0.66646   0.66928
 Alpha virt. eigenvalues --    0.67134   0.67303   0.67449   0.67619   0.68059
 Alpha virt. eigenvalues --    0.68259   0.68475   0.68564   0.68947   0.69033
 Alpha virt. eigenvalues --    0.69201   0.69338   0.69437   0.69966   0.70182
 Alpha virt. eigenvalues --    0.70258   0.70591   0.70907   0.71237   0.71406
 Alpha virt. eigenvalues --    0.71614   0.71787   0.71909   0.72326   0.72519
 Alpha virt. eigenvalues --    0.72805   0.72998   0.73426   0.73559   0.73761
 Alpha virt. eigenvalues --    0.73931   0.74217   0.74458   0.74561   0.74920
 Alpha virt. eigenvalues --    0.75147   0.75262   0.75499   0.75689   0.75970
 Alpha virt. eigenvalues --    0.76185   0.76349   0.76530   0.76607   0.77165
 Alpha virt. eigenvalues --    0.77462   0.77777   0.77871   0.78105   0.78333
 Alpha virt. eigenvalues --    0.78863   0.79288   0.79455   0.79676   0.80050
 Alpha virt. eigenvalues --    0.80355   0.80563   0.80854   0.81209   0.81371
 Alpha virt. eigenvalues --    0.81830   0.82084   0.82235   0.82429   0.82785
 Alpha virt. eigenvalues --    0.83603   0.83672   0.83930   0.84170   0.84452
 Alpha virt. eigenvalues --    0.84692   0.85001   0.85300   0.85902   0.86356
 Alpha virt. eigenvalues --    0.86371   0.86840   0.87401   0.87648   0.87960
 Alpha virt. eigenvalues --    0.88061   0.88234   0.88730   0.88965   0.89149
 Alpha virt. eigenvalues --    0.89564   0.89846   0.90161   0.90885   0.91149
 Alpha virt. eigenvalues --    0.91540   0.91888   0.92133   0.92409   0.92818
 Alpha virt. eigenvalues --    0.93845   0.93886   0.94031   0.94250   0.95011
 Alpha virt. eigenvalues --    0.95076   0.95851   0.96169   0.96632   0.97336
 Alpha virt. eigenvalues --    0.97865   0.98109   0.98873   0.99265   0.99901
 Alpha virt. eigenvalues --    1.00039   1.00594   1.01301   1.01626   1.02152
 Alpha virt. eigenvalues --    1.02267   1.02315   1.02779   1.03258   1.03919
 Alpha virt. eigenvalues --    1.04255   1.05099   1.05357   1.05517   1.06439
 Alpha virt. eigenvalues --    1.07178   1.07699   1.08365   1.08805   1.09158
 Alpha virt. eigenvalues --    1.09635   1.09993   1.10496   1.11576   1.11864
 Alpha virt. eigenvalues --    1.12465   1.13193   1.13970   1.14311   1.15085
 Alpha virt. eigenvalues --    1.15937   1.16012   1.16279   1.17772   1.18494
 Alpha virt. eigenvalues --    1.18945   1.19582   1.19842   1.20289   1.20997
 Alpha virt. eigenvalues --    1.21505   1.22639   1.22704   1.23601   1.24384
 Alpha virt. eigenvalues --    1.24573   1.25148   1.26464   1.26595   1.27103
 Alpha virt. eigenvalues --    1.28055   1.28912   1.29665   1.30215   1.30500
 Alpha virt. eigenvalues --    1.31064   1.31274   1.32932   1.33010   1.33347
 Alpha virt. eigenvalues --    1.34591   1.34966   1.35242   1.35882   1.36500
 Alpha virt. eigenvalues --    1.37045   1.38031   1.38749   1.38997   1.39055
 Alpha virt. eigenvalues --    1.39500   1.40058   1.40362   1.40749   1.41474
 Alpha virt. eigenvalues --    1.41612   1.42497   1.42744   1.43237   1.43655
 Alpha virt. eigenvalues --    1.44403   1.45217   1.45681   1.46236   1.47064
 Alpha virt. eigenvalues --    1.47340   1.48364   1.48765   1.49409   1.50039
 Alpha virt. eigenvalues --    1.50583   1.50841   1.51198   1.51838   1.52288
 Alpha virt. eigenvalues --    1.53047   1.53596   1.53826   1.54745   1.55242
 Alpha virt. eigenvalues --    1.55740   1.56849   1.57499   1.57722   1.58454
 Alpha virt. eigenvalues --    1.59765   1.60313   1.60920   1.61862   1.62411
 Alpha virt. eigenvalues --    1.63250   1.63816   1.65079   1.65165   1.65699
 Alpha virt. eigenvalues --    1.66399   1.66563   1.67862   1.68742   1.69975
 Alpha virt. eigenvalues --    1.71149   1.72477   1.73093   1.74852   1.75764
 Alpha virt. eigenvalues --    1.76601   1.77750   1.79786   1.81067   1.82152
 Alpha virt. eigenvalues --    1.82388   1.83103   1.83495   1.84484   1.85236
 Alpha virt. eigenvalues --    1.85917   1.86801   1.86856   1.87117   1.87847
 Alpha virt. eigenvalues --    1.88020   1.88441   1.88762   1.88981   1.89703
 Alpha virt. eigenvalues --    1.90363   1.91020   1.91217   1.91771   1.92321
 Alpha virt. eigenvalues --    1.92861   1.93974   1.94279   1.94668   1.95218
 Alpha virt. eigenvalues --    1.95550   1.96098   1.96271   1.97144   1.97855
 Alpha virt. eigenvalues --    1.98058   1.98935   1.99472   1.99720   2.00379
 Alpha virt. eigenvalues --    2.01341   2.01968   2.03096   2.03635   2.03719
 Alpha virt. eigenvalues --    2.04788   2.05125   2.05244   2.05747   2.06658
 Alpha virt. eigenvalues --    2.07177   2.08159   2.08500   2.08637   2.08899
 Alpha virt. eigenvalues --    2.09791   2.10280   2.10853   2.10976   2.11693
 Alpha virt. eigenvalues --    2.12441   2.13155   2.13997   2.14129   2.14732
 Alpha virt. eigenvalues --    2.15100   2.15615   2.16649   2.17143   2.17486
 Alpha virt. eigenvalues --    2.17792   2.18038   2.18504   2.19525   2.19788
 Alpha virt. eigenvalues --    2.20220   2.20762   2.21127   2.21761   2.22092
 Alpha virt. eigenvalues --    2.22319   2.22875   2.23269   2.23918   2.24799
 Alpha virt. eigenvalues --    2.25470   2.26320   2.26653   2.26850   2.27120
 Alpha virt. eigenvalues --    2.28181   2.29066   2.29459   2.30082   2.30683
 Alpha virt. eigenvalues --    2.31279   2.31507   2.31985   2.32432   2.33819
 Alpha virt. eigenvalues --    2.34025   2.34405   2.35142   2.36325   2.36927
 Alpha virt. eigenvalues --    2.37075   2.38505   2.39226   2.40327   2.40351
 Alpha virt. eigenvalues --    2.40442   2.42008   2.42553   2.43327   2.43478
 Alpha virt. eigenvalues --    2.44057   2.44403   2.44891   2.46176   2.47002
 Alpha virt. eigenvalues --    2.47896   2.48939   2.49728   2.50236   2.51030
 Alpha virt. eigenvalues --    2.52238   2.53414   2.53854   2.54341   2.55187
 Alpha virt. eigenvalues --    2.56485   2.56811   2.57375   2.58404   2.58744
 Alpha virt. eigenvalues --    2.60056   2.60188   2.61551   2.62287   2.62717
 Alpha virt. eigenvalues --    2.63502   2.64508   2.65124   2.65609   2.66014
 Alpha virt. eigenvalues --    2.66673   2.67045   2.67951   2.68350   2.68914
 Alpha virt. eigenvalues --    2.69855   2.70443   2.71226   2.71589   2.72291
 Alpha virt. eigenvalues --    2.72561   2.72946   2.73315   2.74227   2.74281
 Alpha virt. eigenvalues --    2.74908   2.75504   2.75954   2.76749   2.77402
 Alpha virt. eigenvalues --    2.77646   2.78158   2.79019   2.79817   2.80166
 Alpha virt. eigenvalues --    2.80437   2.81235   2.81356   2.81901   2.82411
 Alpha virt. eigenvalues --    2.83066   2.83689   2.84344   2.84704   2.85536
 Alpha virt. eigenvalues --    2.85895   2.86352   2.86514   2.87046   2.87807
 Alpha virt. eigenvalues --    2.87892   2.88815   2.89029   2.89707   2.90144
 Alpha virt. eigenvalues --    2.90309   2.91423   2.91629   2.91940   2.92760
 Alpha virt. eigenvalues --    2.93144   2.93787   2.94906   2.95282   2.96195
 Alpha virt. eigenvalues --    2.96507   2.96939   2.97971   2.98440   2.99159
 Alpha virt. eigenvalues --    2.99382   3.00117   3.00793   3.01237   3.02440
 Alpha virt. eigenvalues --    3.02785   3.03588   3.03952   3.04400   3.05351
 Alpha virt. eigenvalues --    3.06900   3.07048   3.08127   3.09021   3.09610
 Alpha virt. eigenvalues --    3.10459   3.11396   3.12714   3.13369   3.13724
 Alpha virt. eigenvalues --    3.14070   3.15325   3.15834   3.17361   3.17624
 Alpha virt. eigenvalues --    3.17785   3.19167   3.19253   3.19941   3.20636
 Alpha virt. eigenvalues --    3.21606   3.21759   3.23942   3.24813   3.25877
 Alpha virt. eigenvalues --    3.26711   3.28001   3.28519   3.29109   3.29717
 Alpha virt. eigenvalues --    3.30624   3.31577   3.31803   3.32449   3.33093
 Alpha virt. eigenvalues --    3.33662   3.33849   3.34788   3.35004   3.35517
 Alpha virt. eigenvalues --    3.37550   3.38046   3.38145   3.39403   3.39813
 Alpha virt. eigenvalues --    3.40695   3.41067   3.41799   3.42030   3.43116
 Alpha virt. eigenvalues --    3.43451   3.44384   3.44837   3.45151   3.45671
 Alpha virt. eigenvalues --    3.46200   3.46924   3.47293   3.47407   3.47604
 Alpha virt. eigenvalues --    3.48167   3.49650   3.49872   3.50291   3.50548
 Alpha virt. eigenvalues --    3.50710   3.51159   3.51831   3.52098   3.52742
 Alpha virt. eigenvalues --    3.53172   3.53373   3.54442   3.55164   3.55583
 Alpha virt. eigenvalues --    3.56189   3.57524   3.57712   3.58390   3.58787
 Alpha virt. eigenvalues --    3.59161   3.59929   3.60626   3.61059   3.61793
 Alpha virt. eigenvalues --    3.62193   3.62926   3.63607   3.64027   3.64698
 Alpha virt. eigenvalues --    3.65275   3.65611   3.66569   3.66921   3.67880
 Alpha virt. eigenvalues --    3.68418   3.69079   3.69569   3.70369   3.71306
 Alpha virt. eigenvalues --    3.71602   3.73483   3.73747   3.74321   3.75014
 Alpha virt. eigenvalues --    3.75358   3.76360   3.77096   3.78826   3.79317
 Alpha virt. eigenvalues --    3.79593   3.80084   3.80924   3.81048   3.81559
 Alpha virt. eigenvalues --    3.82206   3.83539   3.84777   3.85426   3.85706
 Alpha virt. eigenvalues --    3.85898   3.87538   3.89249   3.91358   3.92649
 Alpha virt. eigenvalues --    3.93259   3.93697   3.94694   3.97685   3.98935
 Alpha virt. eigenvalues --    3.99979   4.00987   4.01497   4.02265   4.03783
 Alpha virt. eigenvalues --    4.04090   4.04584   4.05756   4.08139   4.08935
 Alpha virt. eigenvalues --    4.09601   4.10661   4.11408   4.12127   4.12543
 Alpha virt. eigenvalues --    4.13833   4.15255   4.15490   4.17172   4.17686
 Alpha virt. eigenvalues --    4.18478   4.19368   4.20892   4.20986   4.21384
 Alpha virt. eigenvalues --    4.22106   4.22777   4.23788   4.24144   4.25075
 Alpha virt. eigenvalues --    4.25575   4.26563   4.27025   4.27521   4.28366
 Alpha virt. eigenvalues --    4.30585   4.31634   4.32560   4.32761   4.33662
 Alpha virt. eigenvalues --    4.34572   4.34818   4.37171   4.38625   4.38681
 Alpha virt. eigenvalues --    4.40880   4.42066   4.42748   4.43256   4.45202
 Alpha virt. eigenvalues --    4.46914   4.47437   4.48668   4.49430   4.51853
 Alpha virt. eigenvalues --    4.52694   4.53205   4.54025   4.55604   4.56617
 Alpha virt. eigenvalues --    4.59004   4.61381   4.62002   4.63573   4.64549
 Alpha virt. eigenvalues --    4.65381   4.66822   4.68458   4.69728   4.70589
 Alpha virt. eigenvalues --    4.73384   4.74048   4.74924   4.77165   4.78762
 Alpha virt. eigenvalues --    4.80722   4.81064   4.81641   4.82666   4.87060
 Alpha virt. eigenvalues --    4.87812   4.88558   4.92318   4.95434   4.96412
 Alpha virt. eigenvalues --    4.98688   5.00672   5.01679   5.02161   5.08131
 Alpha virt. eigenvalues --    5.08860   5.09792   5.13335   5.15742   5.16318
 Alpha virt. eigenvalues --    5.16751   5.19440   5.20112   5.20931   5.23788
 Alpha virt. eigenvalues --    5.28124   5.34312   5.40062   5.41014   5.44315
 Alpha virt. eigenvalues --    5.46530   5.57448   5.58301   5.62572   5.67101
 Alpha virt. eigenvalues --    5.73617   5.75776  11.06021  11.07537  11.13961
 Alpha virt. eigenvalues --   11.16683  11.17196  11.23867  21.01025  22.69495
 Alpha virt. eigenvalues --   22.72684  22.73833  22.74145  22.79290  22.82290
 Alpha virt. eigenvalues --   22.83403  22.84619  22.88403  22.94137  22.97560
 Alpha virt. eigenvalues --   22.98937  23.04851  23.05671  23.15681  23.22761
 Alpha virt. eigenvalues --   23.35533  23.40290  23.49191  23.52317  26.62327
 Alpha virt. eigenvalues --   26.72189  71.73426
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.730800  -0.160830  -0.017567  -0.230170   0.380392  -0.286611
     2  C   -0.160830   9.561830  -0.307596  -0.711910  -0.185490   0.350710
     3  C   -0.017567  -0.307596   8.810525  -0.434749   0.125025  -0.193997
     4  C   -0.230170  -0.711910  -0.434749   7.216754  -0.101826   0.123389
     5  C    0.380392  -0.185490   0.125025  -0.101826   6.603822  -0.629549
     6  C   -0.286611   0.350710  -0.193997   0.123389  -0.629549   7.362215
     7  C   -0.191809  -0.567346  -0.545623   0.365750  -0.125697   0.003023
     8  C   -0.240387  -0.369459  -1.859961   0.019546  -0.027124  -0.027299
     9  C    0.057098  -0.900806   0.296081  -0.091673  -0.047711  -0.015191
    10  C   -0.074690  -0.415250  -0.254850   0.013884  -0.006383   0.000772
    11  C    0.194507  -0.083938  -0.140542  -0.001112  -0.009957   0.012309
    12  C   -0.022077   0.119735   0.053581  -0.006525   0.008940  -0.009439
    13  C   -0.055877  -0.254849   0.012895   0.008935  -0.002242   0.000594
    14  C   -0.012159  -0.019108   0.071842  -0.002791   0.000583   0.001514
    15  C   -0.007705   0.030681  -0.017224   0.000511   0.002022   0.000093
    16  C    0.049897   0.094498  -0.051607   0.006343   0.000095  -0.006030
    17  C   -0.007021  -0.037252  -0.004168   0.000216  -0.000277   0.000086
    18  C   -0.000156  -0.007745   0.002165  -0.000065   0.000008   0.000011
    19  C   -0.000063   0.000504   0.000239   0.000023   0.000001  -0.000002
    20  C    0.000488   0.006403  -0.004577   0.000011   0.000003  -0.000008
    21  Zr  -0.014517  -0.151990   0.074195   0.045769  -0.012565  -0.009084
    22  Cl   0.064927  -0.046704  -0.004996  -0.039003   0.006922  -0.026535
    23  Cl  -0.003066  -0.042947   0.006353   0.003862   0.001791   0.000142
    24  H    0.007677  -0.033179   0.062753  -0.005434   0.000035  -0.000579
    25  H   -0.018608  -0.118164  -0.196644   0.006215  -0.011900   0.002459
    26  H    0.284007  -0.212492   0.043494   0.032701   0.064860  -0.187058
    27  H    0.277298   0.062284  -0.036934  -0.052014   0.023030  -0.194353
    28  H   -0.050865   0.025149   0.000837   0.003070  -0.051887   0.397089
    29  H   -0.028975   0.021609  -0.036625  -0.030249  -0.018664   0.290850
    30  H    0.037684  -0.044176   0.026526  -0.007266   0.323691  -0.044415
    31  H   -0.010359   0.008927  -0.003668  -0.013106   0.297259  -0.017589
    32  H    0.039990  -0.064832  -0.017924   0.308718   0.058597  -0.096374
    33  H   -0.037423   0.057551  -0.034912   0.136911  -0.112669   0.050956
    34  H   -0.033512  -0.115959   0.003639   0.004013   0.004081  -0.013827
    35  H   -0.014959   0.044142   0.015454  -0.000645   0.000736  -0.000761
    36  H   -0.053272  -0.042726   0.029289   0.003507   0.000452   0.008946
    37  H   -0.011303  -0.015277   0.005423   0.000051   0.000207  -0.000590
    38  H    0.000668   0.003832  -0.023344   0.002260  -0.001736   0.001650
    39  H    0.002261   0.006326   0.002326  -0.000602   0.000340   0.000077
    40  H   -0.000141  -0.003872  -0.000893  -0.000013   0.000002  -0.000010
    41  H   -0.000250   0.006024   0.000130   0.000105  -0.000034   0.000020
    42  H   -0.000003   0.000047  -0.000105   0.000000  -0.000000   0.000000
    43  H    0.000017  -0.001178   0.000302   0.000024   0.000000   0.000001
    44  H   -0.000002   0.000006   0.000008   0.000001  -0.000000   0.000000
    45  H   -0.000009  -0.000011  -0.000009  -0.000000  -0.000000   0.000000
    46  H    0.000097   0.000754   0.000086  -0.000018  -0.000016  -0.000000
    47  H   -0.000013  -0.000277   0.000137  -0.000002   0.000002   0.000000
               7          8          9         10         11         12
     1  C   -0.191809  -0.240387   0.057098  -0.074690   0.194507  -0.022077
     2  C   -0.567346  -0.369459  -0.900806  -0.415250  -0.083938   0.119735
     3  C   -0.545623  -1.859961   0.296081  -0.254850  -0.140542   0.053581
     4  C    0.365750   0.019546  -0.091673   0.013884  -0.001112  -0.006525
     5  C   -0.125697  -0.027124  -0.047711  -0.006383  -0.009957   0.008940
     6  C    0.003023  -0.027299  -0.015191   0.000772   0.012309  -0.009439
     7  C    7.667802   0.903371  -1.027024  -0.083798   0.025907  -0.049130
     8  C    0.903371   8.886894  -0.589338   0.049353  -0.029115  -0.028129
     9  C   -1.027024  -0.589338   9.153499  -0.471689  -0.083367   0.176379
    10  C   -0.083798   0.049353  -0.471689   8.356025   0.479604  -0.108083
    11  C    0.025907  -0.029115  -0.083367   0.479604   8.500040  -0.697924
    12  C   -0.049130  -0.028129   0.176379  -0.108083  -0.697924   9.568143
    13  C    0.038113   0.083850   0.131632  -0.210485  -0.323456  -0.775732
    14  C   -0.006558  -0.046409   0.027790  -0.139524  -0.274270   0.229003
    15  C    0.003995   0.029048  -0.073534   0.058334  -0.164683  -1.426599
    16  C    0.015739  -0.022340  -0.054791   0.033715   0.003736  -0.658293
    17  C   -0.019979   0.054652  -0.037443   0.193134  -0.046323   0.195743
    18  C    0.002732   0.012206  -0.009308   0.016191   0.001688  -0.092515
    19  C    0.000123  -0.003897  -0.001183  -0.001480  -0.001470   0.035094
    20  C    0.001865   0.009325  -0.007639   0.002100   0.000927  -0.187642
    21  Zr  -0.017831  -0.208293  -0.188905  -0.111766  -0.049659  -0.171659
    22  Cl  -0.019168   0.002504  -0.079730  -0.003138  -0.012734  -0.031270
    23  Cl  -0.059175   0.017076  -0.020971  -0.006053  -0.008270  -0.075023
    24  H   -0.088184  -0.033689  -0.215296   0.018854   0.034471  -0.009936
    25  H    0.300617  -0.107225   0.043441  -0.001617  -0.000744  -0.005468
    26  H    0.006712  -0.001554   0.087513  -0.003955  -0.038077   0.024029
    27  H   -0.018801   0.003715  -0.215262  -0.000813   0.004038  -0.019663
    28  H    0.003170  -0.000411  -0.003248   0.000086  -0.000014  -0.001205
    29  H    0.014081  -0.002890   0.001959   0.003672   0.000123  -0.000131
    30  H   -0.006914   0.000055  -0.002490   0.000708   0.001027   0.000142
    31  H   -0.001597  -0.001831   0.000359  -0.000217   0.000069  -0.000055
    32  H   -0.112042  -0.015526  -0.013223  -0.000051   0.000150   0.000111
    33  H    0.071897  -0.014558   0.051035  -0.000664   0.000915   0.000206
    34  H    0.019876   0.084597   0.062025   0.040049  -0.134092  -0.001172
    35  H    0.016041  -0.126061   0.153880  -0.112205  -0.162375   0.004035
    36  H    0.011142  -0.002468  -0.027381  -0.149002  -0.073185   0.165464
    37  H    0.000737  -0.014260   0.001718  -0.129317  -0.048508   0.074041
    38  H   -0.002897  -0.008392  -0.001450   0.036376   0.057336  -0.261756
    39  H   -0.001061  -0.001876  -0.004763  -0.001516   0.002038   0.053388
    40  H   -0.001887   0.005738   0.002863   0.032959   0.033015  -0.175850
    41  H    0.003244  -0.027235  -0.006401  -0.065316  -0.067565   0.109097
    42  H    0.000019   0.001540  -0.000388   0.002303  -0.000620  -0.001100
    43  H   -0.000393  -0.001079   0.003225  -0.001187   0.002235   0.000491
    44  H    0.000016  -0.000272  -0.000133  -0.000031  -0.000315   0.006310
    45  H   -0.000050  -0.000279  -0.000126   0.000054   0.000107   0.012795
    46  H   -0.001033   0.000867  -0.000109   0.000637   0.000868   0.037118
    47  H    0.000078  -0.000062  -0.000062   0.000143  -0.001364   0.000068
              13         14         15         16         17         18
     1  C   -0.055877  -0.012159  -0.007705   0.049897  -0.007021  -0.000156
     2  C   -0.254849  -0.019108   0.030681   0.094498  -0.037252  -0.007745
     3  C    0.012895   0.071842  -0.017224  -0.051607  -0.004168   0.002165
     4  C    0.008935  -0.002791   0.000511   0.006343   0.000216  -0.000065
     5  C   -0.002242   0.000583   0.002022   0.000095  -0.000277   0.000008
     6  C    0.000594   0.001514   0.000093  -0.006030   0.000086   0.000011
     7  C    0.038113  -0.006558   0.003995   0.015739  -0.019979   0.002732
     8  C    0.083850  -0.046409   0.029048  -0.022340   0.054652   0.012206
     9  C    0.131632   0.027790  -0.073534  -0.054791  -0.037443  -0.009308
    10  C   -0.210485  -0.139524   0.058334   0.033715   0.193134   0.016191
    11  C   -0.323456  -0.274270  -0.164683   0.003736  -0.046323   0.001688
    12  C   -0.775732   0.229003  -1.426599  -0.658293   0.195743  -0.092515
    13  C   10.324067  -0.445393  -1.227286  -0.218778   0.202533  -0.212739
    14  C   -0.445393   9.472694  -0.979184  -2.134547  -0.108236  -0.134464
    15  C   -1.227286  -0.979184   8.894617   1.023062  -0.181500  -0.001387
    16  C   -0.218778  -2.134547   1.023062   9.025153  -0.128445  -0.041053
    17  C    0.202533  -0.108236  -0.181500  -0.128445   6.727119  -0.041751
    18  C   -0.212739  -0.134464  -0.001387  -0.041053  -0.041751   6.872610
    19  C    0.373106   0.231810  -0.190115   0.002464   0.317332  -0.394549
    20  C   -1.346425  -0.691406   0.817211  -0.021782  -0.326707   0.320688
    21  Zr  -0.025715   0.145839  -0.042851  -0.292780  -0.048707   0.014454
    22  Cl  -0.043611   0.018570   0.003504  -0.058092  -0.003825   0.000012
    23  Cl  -0.038493  -0.010661   0.034097   0.003720   0.015924  -0.033404
    24  H    0.015986  -0.017171  -0.003801  -0.011135   0.002342  -0.007373
    25  H    0.003630   0.002928  -0.000440  -0.002630   0.000898   0.000159
    26  H   -0.002050   0.004222  -0.009575  -0.007963  -0.000256  -0.000087
    27  H   -0.006535  -0.000057  -0.000643   0.006535  -0.000244   0.000024
    28  H   -0.000090   0.000028  -0.000122  -0.001059   0.000000   0.000000
    29  H   -0.000038   0.000061  -0.000144  -0.000061   0.000027  -0.000001
    30  H    0.000107  -0.000450   0.000759   0.003031  -0.000019  -0.000000
    31  H   -0.000012   0.000038  -0.000102  -0.000092  -0.000001   0.000000
    32  H   -0.000099  -0.000062   0.000119   0.000049  -0.000017  -0.000001
    33  H   -0.000548   0.000550  -0.000804   0.000200   0.000058  -0.000007
    34  H   -0.000062   0.005546   0.000883  -0.013257  -0.012003  -0.000497
    35  H   -0.049332   0.032007   0.017054  -0.002533  -0.124412  -0.002553
    36  H    0.056515   0.001992   0.034295  -0.087258  -0.011747  -0.000581
    37  H   -0.118850   0.052985   0.025980   0.074087  -0.023779  -0.001979
    38  H   -0.122774   0.141082  -0.096105   0.024221   0.006895  -0.000750
    39  H   -0.024284  -0.090631   0.128359  -0.141254  -0.003914  -0.006772
    40  H   -0.005592   0.036689   0.023614   0.020433   0.191227  -0.046378
    41  H   -0.356488   0.073045   0.050842  -0.020021  -0.196694   0.029168
    42  H   -0.024316   0.015381   0.001402  -0.000583  -0.040960   0.321099
    43  H    0.059453  -0.041624  -0.004930  -0.000633   0.006462   0.191835
    44  H   -0.013213  -0.017725  -0.005350  -0.002946  -0.007463  -0.036998
    45  H   -0.015589  -0.009610   0.003514  -0.004372  -0.012077  -0.009093
    46  H    0.039018   0.020533  -0.006292   0.017314  -0.004018  -0.028717
    47  H   -0.021444  -0.071493  -0.030746  -0.039963  -0.013792   0.035424
              19         20         21         22         23         24
     1  C   -0.000063   0.000488  -0.014517   0.064927  -0.003066   0.007677
     2  C    0.000504   0.006403  -0.151990  -0.046704  -0.042947  -0.033179
     3  C    0.000239  -0.004577   0.074195  -0.004996   0.006353   0.062753
     4  C    0.000023   0.000011   0.045769  -0.039003   0.003862  -0.005434
     5  C    0.000001   0.000003  -0.012565   0.006922   0.001791   0.000035
     6  C   -0.000002  -0.000008  -0.009084  -0.026535   0.000142  -0.000579
     7  C    0.000123   0.001865  -0.017831  -0.019168  -0.059175  -0.088184
     8  C   -0.003897   0.009325  -0.208293   0.002504   0.017076  -0.033689
     9  C   -0.001183  -0.007639  -0.188905  -0.079730  -0.020971  -0.215296
    10  C   -0.001480   0.002100  -0.111766  -0.003138  -0.006053   0.018854
    11  C   -0.001470   0.000927  -0.049659  -0.012734  -0.008270   0.034471
    12  C    0.035094  -0.187642  -0.171659  -0.031270  -0.075023  -0.009936
    13  C    0.373106  -1.346425  -0.025715  -0.043611  -0.038493   0.015986
    14  C    0.231810  -0.691406   0.145839   0.018570  -0.010661  -0.017171
    15  C   -0.190115   0.817211  -0.042851   0.003504   0.034097  -0.003801
    16  C    0.002464  -0.021782  -0.292780  -0.058092   0.003720  -0.011135
    17  C    0.317332  -0.326707  -0.048707  -0.003825   0.015924   0.002342
    18  C   -0.394549   0.320688   0.014454   0.000012  -0.033404  -0.007373
    19  C    6.756255  -0.865922  -0.010998  -0.000499  -0.019996   0.001128
    20  C   -0.865922   8.329172   0.045572   0.008730   0.014424  -0.001108
    21  Zr  -0.010998   0.045572  11.034830   0.228675   0.214575   0.061876
    22  Cl  -0.000499   0.008730   0.228675  17.619829   0.001777  -0.006685
    23  Cl  -0.019996   0.014424   0.214575   0.001777  17.621065   0.013813
    24  H    0.001128  -0.001108   0.061876  -0.006685   0.013813   1.003076
    25  H    0.000041  -0.000271   0.031489   0.002820   0.013512  -0.022173
    26  H    0.000047  -0.000270   0.036083   0.003000  -0.000786   0.001092
    27  H   -0.000012   0.000067  -0.021183   0.005817  -0.000173  -0.002118
    28  H   -0.000000  -0.000001   0.007199  -0.001986  -0.000063   0.000011
    29  H    0.000000  -0.000002  -0.001316  -0.001408   0.000023  -0.000030
    30  H   -0.000000   0.000021   0.004848   0.012864   0.000047   0.000061
    31  H   -0.000000   0.000000   0.003612  -0.008341  -0.000077   0.000040
    32  H    0.000000   0.000005   0.006319   0.002214   0.001042   0.000946
    33  H   -0.000001  -0.000019  -0.040354   0.018919  -0.005941   0.000146
    34  H    0.000017   0.000162  -0.008449   0.000770  -0.000311   0.014454
    35  H   -0.001369   0.004684   0.011492   0.002549   0.000538  -0.071870
    36  H   -0.000094  -0.000638   0.038675   0.001257   0.002488   0.001582
    37  H   -0.001690   0.006473  -0.000015  -0.000009   0.000275   0.002144
    38  H    0.000735   0.000566   0.012783   0.004125  -0.004833  -0.000069
    39  H    0.008111  -0.032744   0.004971   0.027795   0.000181   0.000033
    40  H   -0.102577   0.028413  -0.046081  -0.000166   0.009947  -0.002375
    41  H   -0.038820   0.089894   0.050346  -0.000496  -0.022876   0.013444
    42  H   -0.089204   0.034659   0.000248  -0.000082   0.000813  -0.001123
    43  H    0.039005  -0.008671  -0.009764   0.000204   0.021434   0.002079
    44  H    0.331281   0.023396   0.007053  -0.000029  -0.005078   0.000067
    45  H    0.347321  -0.069976   0.008753  -0.000185  -0.002739   0.000049
    46  H    0.076749   0.044684  -0.044493  -0.007668  -0.007625  -0.000361
    47  H   -0.138634   0.457337   0.006688   0.002958  -0.005955   0.000033
              25         26         27         28         29         30
     1  C   -0.018608   0.284007   0.277298  -0.050865  -0.028975   0.037684
     2  C   -0.118164  -0.212492   0.062284   0.025149   0.021609  -0.044176
     3  C   -0.196644   0.043494  -0.036934   0.000837  -0.036625   0.026526
     4  C    0.006215   0.032701  -0.052014   0.003070  -0.030249  -0.007266
     5  C   -0.011900   0.064860   0.023030  -0.051887  -0.018664   0.323691
     6  C    0.002459  -0.187058  -0.194353   0.397089   0.290850  -0.044415
     7  C    0.300617   0.006712  -0.018801   0.003170   0.014081  -0.006914
     8  C   -0.107225  -0.001554   0.003715  -0.000411  -0.002890   0.000055
     9  C    0.043441   0.087513  -0.215262  -0.003248   0.001959  -0.002490
    10  C   -0.001617  -0.003955  -0.000813   0.000086   0.003672   0.000708
    11  C   -0.000744  -0.038077   0.004038  -0.000014   0.000123   0.001027
    12  C   -0.005468   0.024029  -0.019663  -0.001205  -0.000131   0.000142
    13  C    0.003630  -0.002050  -0.006535  -0.000090  -0.000038   0.000107
    14  C    0.002928   0.004222  -0.000057   0.000028   0.000061  -0.000450
    15  C   -0.000440  -0.009575  -0.000643  -0.000122  -0.000144   0.000759
    16  C   -0.002630  -0.007963   0.006535  -0.001059  -0.000061   0.003031
    17  C    0.000898  -0.000256  -0.000244   0.000000   0.000027  -0.000019
    18  C    0.000159  -0.000087   0.000024   0.000000  -0.000001  -0.000000
    19  C    0.000041   0.000047  -0.000012  -0.000000   0.000000  -0.000000
    20  C   -0.000271  -0.000270   0.000067  -0.000001  -0.000002   0.000021
    21  Zr   0.031489   0.036083  -0.021183   0.007199  -0.001316   0.004848
    22  Cl   0.002820   0.003000   0.005817  -0.001986  -0.001408   0.012864
    23  Cl   0.013512  -0.000786  -0.000173  -0.000063   0.000023   0.000047
    24  H   -0.022173   0.001092  -0.002118   0.000011  -0.000030   0.000061
    25  H    0.718666  -0.000355  -0.000471   0.000114   0.001728  -0.000279
    26  H   -0.000355   0.899716  -0.194916  -0.031194  -0.016165   0.011321
    27  H   -0.000471  -0.194916   1.129321  -0.003472   0.023880   0.003227
    28  H    0.000114  -0.031194  -0.003472   0.489134  -0.000531  -0.010257
    29  H    0.001728  -0.016165   0.023880  -0.000531   0.501114  -0.008534
    30  H   -0.000279   0.011321   0.003227  -0.010257  -0.008534   0.425614
    31  H   -0.000159  -0.000205   0.001054  -0.004295   0.016378  -0.026179
    32  H   -0.022660   0.002887  -0.001196  -0.004556  -0.010138  -0.003595
    33  H    0.025518  -0.003537   0.000538   0.002483   0.006231  -0.025322
    34  H   -0.000989   0.005435   0.021773  -0.000297  -0.002018  -0.000031
    35  H    0.000896   0.003331   0.001164  -0.000026  -0.000388   0.000004
    36  H    0.000201   0.015709  -0.059870  -0.000057   0.000607  -0.000386
    37  H    0.000045   0.000664   0.002845  -0.000017   0.000007  -0.000024
    38  H   -0.000003   0.018026   0.009974   0.000347   0.000318  -0.001843
    39  H   -0.000200  -0.000224  -0.000003  -0.000006  -0.000003   0.000062
    40  H   -0.000095  -0.000180   0.000038  -0.000000   0.000000   0.000000
    41  H   -0.000095   0.000313   0.000127  -0.000000  -0.000005  -0.000003
    42  H   -0.000035  -0.000000   0.000000   0.000000   0.000000  -0.000000
    43  H    0.000165  -0.000005   0.000001   0.000000   0.000000  -0.000000
    44  H    0.000004   0.000000  -0.000000   0.000000   0.000000  -0.000000
    45  H   -0.000001  -0.000000  -0.000000   0.000000   0.000000   0.000000
    46  H   -0.000030   0.000013  -0.000000  -0.000000   0.000000   0.000004
    47  H    0.000016   0.000005   0.000000   0.000000   0.000000   0.000000
              31         32         33         34         35         36
     1  C   -0.010359   0.039990  -0.037423  -0.033512  -0.014959  -0.053272
     2  C    0.008927  -0.064832   0.057551  -0.115959   0.044142  -0.042726
     3  C   -0.003668  -0.017924  -0.034912   0.003639   0.015454   0.029289
     4  C   -0.013106   0.308718   0.136911   0.004013  -0.000645   0.003507
     5  C    0.297259   0.058597  -0.112669   0.004081   0.000736   0.000452
     6  C   -0.017589  -0.096374   0.050956  -0.013827  -0.000761   0.008946
     7  C   -0.001597  -0.112042   0.071897   0.019876   0.016041   0.011142
     8  C   -0.001831  -0.015526  -0.014558   0.084597  -0.126061  -0.002468
     9  C    0.000359  -0.013223   0.051035   0.062025   0.153880  -0.027381
    10  C   -0.000217  -0.000051  -0.000664   0.040049  -0.112205  -0.149002
    11  C    0.000069   0.000150   0.000915  -0.134092  -0.162375  -0.073185
    12  C   -0.000055   0.000111   0.000206  -0.001172   0.004035   0.165464
    13  C   -0.000012  -0.000099  -0.000548  -0.000062  -0.049332   0.056515
    14  C    0.000038  -0.000062   0.000550   0.005546   0.032007   0.001992
    15  C   -0.000102   0.000119  -0.000804   0.000883   0.017054   0.034295
    16  C   -0.000092   0.000049   0.000200  -0.013257  -0.002533  -0.087258
    17  C   -0.000001  -0.000017   0.000058  -0.012003  -0.124412  -0.011747
    18  C    0.000000  -0.000001  -0.000007  -0.000497  -0.002553  -0.000581
    19  C   -0.000000   0.000000  -0.000001   0.000017  -0.001369  -0.000094
    20  C    0.000000   0.000005  -0.000019   0.000162   0.004684  -0.000638
    21  Zr   0.003612   0.006319  -0.040354  -0.008449   0.011492   0.038675
    22  Cl  -0.008341   0.002214   0.018919   0.000770   0.002549   0.001257
    23  Cl  -0.000077   0.001042  -0.005941  -0.000311   0.000538   0.002488
    24  H    0.000040   0.000946   0.000146   0.014454  -0.071870   0.001582
    25  H   -0.000159  -0.022660   0.025518  -0.000989   0.000896   0.000201
    26  H   -0.000205   0.002887  -0.003537   0.005435   0.003331   0.015709
    27  H    0.001054  -0.001196   0.000538   0.021773   0.001164  -0.059870
    28  H   -0.004295  -0.004556   0.002483  -0.000297  -0.000026  -0.000057
    29  H    0.016378  -0.010138   0.006231  -0.002018  -0.000388   0.000607
    30  H   -0.026179  -0.003595  -0.025322  -0.000031   0.000004  -0.000386
    31  H    0.510457   0.006645   0.016967   0.000001  -0.000008   0.000015
    32  H    0.006645   0.828156  -0.179859   0.000145  -0.000006  -0.000012
    33  H    0.016967  -0.179859   0.838316  -0.000175  -0.000103  -0.000207
    34  H    0.000001   0.000145  -0.000175   0.783224  -0.068336  -0.018308
    35  H   -0.000008  -0.000006  -0.000103  -0.068336   0.939661   0.026623
    36  H    0.000015  -0.000012  -0.000207  -0.018308   0.026623   0.946019
    37  H   -0.000001  -0.000003  -0.000004   0.031946   0.012544  -0.091302
    38  H   -0.000009   0.000040  -0.000196   0.002004   0.001360  -0.080145
    39  H   -0.000002   0.000009  -0.000028   0.000047   0.000111   0.000562
    40  H   -0.000000  -0.000000  -0.000000  -0.000622  -0.038977   0.003402
    41  H    0.000000   0.000002   0.000001   0.002755   0.132651   0.002940
    42  H    0.000000  -0.000000  -0.000000  -0.000010  -0.000598   0.000045
    43  H   -0.000000  -0.000000  -0.000002  -0.000064   0.000172   0.000083
    44  H   -0.000000   0.000000   0.000000  -0.000000   0.000091  -0.000013
    45  H   -0.000000   0.000000   0.000000  -0.000000   0.000007  -0.000155
    46  H   -0.000000   0.000001   0.000013   0.000000  -0.000143  -0.000204
    47  H    0.000000  -0.000000   0.000000   0.000000   0.000056   0.000018
              37         38         39         40         41         42
     1  C   -0.011303   0.000668   0.002261  -0.000141  -0.000250  -0.000003
     2  C   -0.015277   0.003832   0.006326  -0.003872   0.006024   0.000047
     3  C    0.005423  -0.023344   0.002326  -0.000893   0.000130  -0.000105
     4  C    0.000051   0.002260  -0.000602  -0.000013   0.000105   0.000000
     5  C    0.000207  -0.001736   0.000340   0.000002  -0.000034  -0.000000
     6  C   -0.000590   0.001650   0.000077  -0.000010   0.000020   0.000000
     7  C    0.000737  -0.002897  -0.001061  -0.001887   0.003244   0.000019
     8  C   -0.014260  -0.008392  -0.001876   0.005738  -0.027235   0.001540
     9  C    0.001718  -0.001450  -0.004763   0.002863  -0.006401  -0.000388
    10  C   -0.129317   0.036376  -0.001516   0.032959  -0.065316   0.002303
    11  C   -0.048508   0.057336   0.002038   0.033015  -0.067565  -0.000620
    12  C    0.074041  -0.261756   0.053388  -0.175850   0.109097  -0.001100
    13  C   -0.118850  -0.122774  -0.024284  -0.005592  -0.356488  -0.024316
    14  C    0.052985   0.141082  -0.090631   0.036689   0.073045   0.015381
    15  C    0.025980  -0.096105   0.128359   0.023614   0.050842   0.001402
    16  C    0.074087   0.024221  -0.141254   0.020433  -0.020021  -0.000583
    17  C   -0.023779   0.006895  -0.003914   0.191227  -0.196694  -0.040960
    18  C   -0.001979  -0.000750  -0.006772  -0.046378   0.029168   0.321099
    19  C   -0.001690   0.000735   0.008111  -0.102577  -0.038820  -0.089204
    20  C    0.006473   0.000566  -0.032744   0.028413   0.089894   0.034659
    21  Zr  -0.000015   0.012783   0.004971  -0.046081   0.050346   0.000248
    22  Cl  -0.000009   0.004125   0.027795  -0.000166  -0.000496  -0.000082
    23  Cl   0.000275  -0.004833   0.000181   0.009947  -0.022876   0.000813
    24  H    0.002144  -0.000069   0.000033  -0.002375   0.013444  -0.001123
    25  H    0.000045  -0.000003  -0.000200  -0.000095  -0.000095  -0.000035
    26  H    0.000664   0.018026  -0.000224  -0.000180   0.000313  -0.000000
    27  H    0.002845   0.009974  -0.000003   0.000038   0.000127   0.000000
    28  H   -0.000017   0.000347  -0.000006  -0.000000  -0.000000   0.000000
    29  H    0.000007   0.000318  -0.000003   0.000000  -0.000005   0.000000
    30  H   -0.000024  -0.001843   0.000062   0.000000  -0.000003  -0.000000
    31  H   -0.000001  -0.000009  -0.000002  -0.000000   0.000000   0.000000
    32  H   -0.000003   0.000040   0.000009  -0.000000   0.000002  -0.000000
    33  H   -0.000004  -0.000196  -0.000028  -0.000000   0.000001  -0.000000
    34  H    0.031946   0.002004   0.000047  -0.000622   0.002755  -0.000010
    35  H    0.012544   0.001360   0.000111  -0.038977   0.132651  -0.000598
    36  H   -0.091302  -0.080145   0.000562   0.003402   0.002940   0.000045
    37  H    0.812916   0.015902  -0.000763  -0.016054   0.036340  -0.000052
    38  H    0.015902   1.042619  -0.031904  -0.000574   0.001649   0.000019
    39  H   -0.000763  -0.031904   0.751527  -0.000405  -0.000661  -0.000141
    40  H   -0.016054  -0.000574  -0.000405   1.024594  -0.349507   0.028969
    41  H    0.036340   0.001649  -0.000661  -0.349507   1.569637   0.016847
    42  H   -0.000052   0.000019  -0.000141   0.028969   0.016847   0.510379
    43  H   -0.000295  -0.000111  -0.000246   0.004608  -0.030808  -0.033813
    44  H    0.000022   0.000054  -0.000411  -0.009628   0.009267  -0.009266
    45  H   -0.000086   0.000044   0.001552  -0.005838  -0.000664   0.003725
    46  H   -0.000211   0.000746   0.029315  -0.000379  -0.005709   0.001192
    47  H    0.000117   0.000263  -0.027750   0.000621   0.001775   0.001508
              43         44         45         46         47
     1  C    0.000017  -0.000002  -0.000009   0.000097  -0.000013
     2  C   -0.001178   0.000006  -0.000011   0.000754  -0.000277
     3  C    0.000302   0.000008  -0.000009   0.000086   0.000137
     4  C    0.000024   0.000001  -0.000000  -0.000018  -0.000002
     5  C    0.000000  -0.000000  -0.000000  -0.000016   0.000002
     6  C    0.000001   0.000000   0.000000  -0.000000   0.000000
     7  C   -0.000393   0.000016  -0.000050  -0.001033   0.000078
     8  C   -0.001079  -0.000272  -0.000279   0.000867  -0.000062
     9  C    0.003225  -0.000133  -0.000126  -0.000109  -0.000062
    10  C   -0.001187  -0.000031   0.000054   0.000637   0.000143
    11  C    0.002235  -0.000315   0.000107   0.000868  -0.001364
    12  C    0.000491   0.006310   0.012795   0.037118   0.000068
    13  C    0.059453  -0.013213  -0.015589   0.039018  -0.021444
    14  C   -0.041624  -0.017725  -0.009610   0.020533  -0.071493
    15  C   -0.004930  -0.005350   0.003514  -0.006292  -0.030746
    16  C   -0.000633  -0.002946  -0.004372   0.017314  -0.039963
    17  C    0.006462  -0.007463  -0.012077  -0.004018  -0.013792
    18  C    0.191835  -0.036998  -0.009093  -0.028717   0.035424
    19  C    0.039005   0.331281   0.347321   0.076749  -0.138634
    20  C   -0.008671   0.023396  -0.069976   0.044684   0.457337
    21  Zr  -0.009764   0.007053   0.008753  -0.044493   0.006688
    22  Cl   0.000204  -0.000029  -0.000185  -0.007668   0.002958
    23  Cl   0.021434  -0.005078  -0.002739  -0.007625  -0.005955
    24  H    0.002079   0.000067   0.000049  -0.000361   0.000033
    25  H    0.000165   0.000004  -0.000001  -0.000030   0.000016
    26  H   -0.000005   0.000000  -0.000000   0.000013   0.000005
    27  H    0.000001  -0.000000  -0.000000  -0.000000   0.000000
    28  H    0.000000   0.000000   0.000000  -0.000000   0.000000
    29  H    0.000000   0.000000   0.000000   0.000000   0.000000
    30  H   -0.000000  -0.000000   0.000000   0.000004   0.000000
    31  H   -0.000000  -0.000000  -0.000000  -0.000000   0.000000
    32  H   -0.000000   0.000000   0.000000   0.000001  -0.000000
    33  H   -0.000002   0.000000   0.000000   0.000013   0.000000
    34  H   -0.000064  -0.000000  -0.000000   0.000000   0.000000
    35  H    0.000172   0.000091   0.000007  -0.000143   0.000056
    36  H    0.000083  -0.000013  -0.000155  -0.000204   0.000018
    37  H   -0.000295   0.000022  -0.000086  -0.000211   0.000117
    38  H   -0.000111   0.000054   0.000044   0.000746   0.000263
    39  H   -0.000246  -0.000411   0.001552   0.029315  -0.027750
    40  H    0.004608  -0.009628  -0.005838  -0.000379   0.000621
    41  H   -0.030808   0.009267  -0.000664  -0.005709   0.001775
    42  H   -0.033813  -0.009266   0.003725   0.001192   0.001508
    43  H    0.510763  -0.003303  -0.012417  -0.001090  -0.002240
    44  H   -0.003303   0.529001  -0.012832  -0.007057   0.009518
    45  H   -0.012417  -0.012832   0.478859   0.003224  -0.010726
    46  H   -0.001090  -0.007057   0.003224   0.702577  -0.166452
    47  H   -0.002240   0.009518  -0.010726  -0.166452   0.772589
 Mulliken charges:
               1
     1  C   -0.543407
     2  C    0.514349
     3  C    0.545213
     4  C   -0.573399
     5  C   -0.557168
     6  C   -0.847605
     7  C   -0.528053
     8  C   -0.352918
     9  C   -0.059861
    10  C   -0.985875
    11  C   -0.901433
    12  C   -0.057538
    13  C    0.591965
    14  C    0.666801
    15  C   -0.712872
    16  C   -0.379991
    17  C   -0.471618
    18  C   -0.709550
    19  C   -0.658809
    20  C   -0.681471
    21  Zr   1.432630
    22  Cl  -0.644382
    23  Cl  -0.624403
    24  H    0.275493
    25  H    0.355695
    26  H    0.165725
    27  H    0.251985
    28  H    0.236942
    29  H    0.275645
    30  H    0.330381
    31  H    0.226082
    32  H    0.286033
    33  H    0.177920
    34  H    0.336550
    35  H    0.356379
    36  H    0.347184
    37  H    0.316920
    38  H    0.252996
    39  H    0.352771
    40  H    0.360963
    41  H   -0.010014
    42  H    0.262207
    43  H    0.311293
    44  H    0.215971
    45  H    0.306840
    46  H    0.305813
    47  H    0.241620
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.125697
     2  C    0.514349
     3  C    0.545213
     4  C   -0.109446
     5  C   -0.000705
     6  C   -0.335018
     7  C   -0.172359
     8  C   -0.077424
     9  C   -0.059861
    10  C   -0.292945
    11  C   -0.237329
    12  C   -0.057538
    13  C    0.591965
    14  C    0.666801
    15  C   -0.360101
    16  C   -0.126995
    17  C   -0.120669
    18  C   -0.136051
    19  C   -0.135998
    20  C   -0.134038
    21  Zr   1.432630
    22  Cl  -0.644382
    23  Cl  -0.624403
 Electronic spatial extent (au):  <R**2>=           7215.4115
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2404    Y=              5.0499    Z=             -0.1903  Tot=              5.0592
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -161.3873   YY=           -174.7055   ZZ=           -171.5330
   XY=             -0.0902   XZ=              1.9189   YZ=              0.1360
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8213   YY=             -5.4969   ZZ=             -2.3244
   XY=             -0.0902   XZ=              1.9189   YZ=              0.1360
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.3174  YYY=              6.6777  ZZZ=             -0.2774  XYY=             -1.7660
  XXY=             -8.7772  XXZ=             -0.2960  XZZ=              1.8659  YZZ=             -8.2950
  YYZ=              1.5931  XYZ=            -21.8750
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5936.0876 YYYY=          -2368.2915 ZZZZ=          -1630.7266 XXXY=             -7.1651
 XXXZ=            -20.9290 YYYX=              2.0204 YYYZ=             -5.0970 ZZZX=            -29.5942
 ZZZY=              4.6367 XXYY=          -1399.4538 XXZZ=          -1297.6503 YYZZ=           -681.3851
 XXYZ=             -1.2166 YYXZ=             17.2894 ZZXY=              0.6429
 N-N= 2.554040273114D+03 E-N=-9.192224963959D+03  KE= 1.707481146355D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 29 23:52:59 2021, MaxMem= 16106127360 cpu:              29.5 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.0661    2.0833       -0.2323   -0.2325
 2     -2.0661   -2.0833       -0.1930   -0.2068      -35.0312  -35.0634
 3      0.2323    0.2325       45.0035   45.0046        0.2082    0.2068
 4      0.1930    0.2068        0.0000    0.0000        0.2170    0.2325
 5     -9.9723   -9.9412       -0.2170   -0.2325        2.0855    2.0833
 6     -0.2082   -0.2068       -2.0855   -2.0833        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -6.2500   -6.2500       -0.6975   -0.6975
 2      0.6204    0.6204       -0.0000    0.0000       -0.6975   -0.6975
 3      0.6204    0.6204       -6.2500   -6.2500        0.0000    0.0000
 4     -6.2500   -6.2500       -0.6204   -0.6204     -105.1903 -105.1903
 5      0.6975    0.6975      135.0139  135.0139        0.6204    0.6204
 6    -29.8236  -29.8236       -0.6975   -0.6975        6.2500    6.2500
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.4737    0.0000       -8.6294   -8.3334        1.1990    0.9300
 2      8.6685    8.3334        0.9201    0.8272      140.3723  140.2538
 3     -1.1035   -0.9300     -180.4033 -180.0185       -1.3193   -0.8272
 4     -0.7333   -0.8272       -0.2946    0.0000       -0.8677   -0.9300
 5     40.2132   39.7648        0.9064    0.9300       -8.1870   -8.3334
 6      1.3204    0.8272        7.6287    8.3334        0.3342    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1811    0.0000       31.5341   32.2530       -0.1922    1.4215
 2    -30.7761  -32.2530       -5.0167   -6.2697       24.3518   24.3008
 3     -1.3553   -1.4215       45.6242   45.1622        5.7610    6.2697
 4      5.6407    6.2697       -0.9635    0.0000       -1.1913   -1.4215
 5    -68.0072  -69.4629        0.7223    1.4215       31.7843   32.2530
 6     -5.0032   -6.2697      -30.6450  -32.2530        0.3096    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.3224   12.3231      -21.4112  -20.7238       -1.6149   -3.0208
 2     24.8353   24.7067        2.6104    3.3438       -2.5035   -3.0208
 3     25.8619   24.7067      -21.8438  -20.7238       -7.2166   -8.5102
 4    -24.1155  -24.0675      -12.0042  -12.3836       61.0459   60.3769
 5     -5.1848   -5.4894       33.3791   33.8708       12.2949   12.3836
 6    -93.7168  -94.2477        5.6073    5.4894       24.0010   24.0675
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0566                 1.3518                 1.6443
  Dep-P Fr= 1--      0.7482                 0.4595                 0.6953
  Dep-U Fr= 1--      0.8560                 0.6296                 0.8203
 Alpha2 Fr= 1--      0.0000                 0.0080                 0.0016
 Beta2  Fr= 1--      0.0081                 0.1419                 0.2248
 AlphaG Fr= 1--     -0.0000                -0.0030                -0.0032
 Gamma2 Fr= 1--      0.0639                 0.7603                -0.3636
 Delta2 Fr= 1--      0.0106                 0.0098                 0.1824
 Raman1 Fr= 1--       0.226                  5.407                  6.577
 ROA1   Fr= 1--       6.471                 73.301                -29.072
 CID1   Fr= 1--      28.584                 13.556                 -4.420
 Raman2 Fr= 1--       0.097                  1.702                  2.698
 ROA2   Fr= 1--       1.448                 18.168                -10.187
 CID2   Fr= 1--      14.942                 10.673                 -3.776
 Raman3 Fr= 1--       0.194                  3.405                  5.395
 ROA3   Fr= 1--       6.471                 73.301                -29.072
 CID3   Fr= 1--      33.393                 21.530                 -5.388
 RC180  Fr= 1--       0.712                  0.259                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.6942                 0.9287                 2.1953
  Dep-P Fr= 1--      0.6709                 0.3418                 0.7035
  Dep-U Fr= 1--      0.8030                 0.5094                 0.8259
 Alpha2 Fr= 1--      0.0024                 0.0084                 0.0018
 Beta2  Fr= 1--      0.2268                 0.0788                 0.3022
 AlphaG Fr= 1--      0.0012                -0.0041                 0.0028
 Gamma2 Fr= 1--     -0.3063                -0.0537                -1.0239
 Delta2 Fr= 1--     -0.0476                -0.0547                 0.0981
 Raman1 Fr= 1--       6.777                  3.715                  8.781
 ROA1   Fr= 1--     -30.923                 -6.907                -95.154
 CID1   Fr= 1--      -4.563                 -1.860                -10.836
 Raman2 Fr= 1--       2.721                  0.946                  3.626
 ROA2   Fr= 1--      -6.969                 -0.851                -25.358
 CID2   Fr= 1--      -2.561                 -0.899                 -6.993
 Raman3 Fr= 1--       5.442                  1.892                  7.253
 ROA3   Fr= 1--     -30.923                 -6.907                -95.154
 CID3   Fr= 1--      -5.682                 -3.650                -13.120
 RC180  Fr= 1--       0.606                  0.019                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      4.3108                 3.1862                 2.0618
  Dep-P Fr= 1--      0.3851                 0.6395                 0.7106
  Dep-U Fr= 1--      0.5560                 0.7801                 0.8308
 Alpha2 Fr= 1--      0.0337                 0.0064                 0.0014
 Beta2  Fr= 1--      0.3995                 0.4143                 0.2855
 AlphaG Fr= 1--      0.0297                 0.0023                -0.0011
 Gamma2 Fr= 1--      1.7568                 1.4170                -1.3298
 Delta2 Fr= 1--     -0.1870                -0.1202                 0.3512
 Raman1 Fr= 1--      17.243                 12.745                  8.247
 ROA1   Fr= 1--     162.673                132.189               -116.422
 CID1   Fr= 1--       9.434                 10.372                -14.117
 Raman2 Fr= 1--       4.794                  4.971                  3.426
 ROA2   Fr= 1--      43.660                 34.970                -34.726
 CID2   Fr= 1--       9.108                  7.035                -10.136
 Raman3 Fr= 1--       9.588                  9.942                  6.852
 ROA3   Fr= 1--     162.673                132.189               -116.422
 CID3   Fr= 1--      16.967                 13.296                -16.991
 RC180  Fr= 1--       0.112                  0.560                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.4156                 7.5042                 3.7558
  Dep-P Fr= 1--      0.2781                 0.2141                 0.4709
  Dep-U Fr= 1--      0.4351                 0.3527                 0.6403
 Alpha2 Fr= 1--      0.0155                 0.0981                 0.0211
 Beta2  Fr= 1--      0.1027                 0.4411                 0.4008
 AlphaG Fr= 1--     -0.0035                -0.1693                 0.1431
 Gamma2 Fr= 1--      0.6016                 2.3533                 0.0879
 Delta2 Fr= 1--      0.2335                 0.3647                 0.0032
 Raman1 Fr= 1--       5.663                 30.017                 15.023
 ROA1   Fr= 1--      65.222                237.588                  8.535
 CID1   Fr= 1--      11.518                  7.915                  0.568
 Raman2 Fr= 1--       1.232                  5.293                  4.810
 ROA2   Fr= 1--      12.569                 53.562                  2.083
 CID2   Fr= 1--      10.202                 10.119                  0.433
 Raman3 Fr= 1--       2.464                 10.587                  9.619
 ROA3   Fr= 1--      65.222                237.588                  8.535
 CID3   Fr= 1--      26.469                 22.442                  0.887
 RC180  Fr= 1--      -0.130                 -0.295                  0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      2.2865                 0.8044                 1.4612
  Dep-P Fr= 1--      0.3888                 0.4442                 0.2240
  Dep-U Fr= 1--      0.5599                 0.6152                 0.3661
 Alpha2 Fr= 1--      0.0176                 0.0050                 0.0186
 Beta2  Fr= 1--      0.2134                 0.0825                 0.0892
 AlphaG Fr= 1--      0.0378                 0.0120                 0.0164
 Gamma2 Fr= 1--     -1.7648                 1.0642                 0.1615
 Delta2 Fr= 1--      0.0570                -0.0263                 0.0244
 Raman1 Fr= 1--       9.146                  3.218                  5.845
 ROA1   Fr= 1--    -167.592                101.320                 16.281
 CID1   Fr= 1--     -18.324                 31.490                  2.786
 Raman2 Fr= 1--       2.561                  0.990                  1.070
 ROA2   Fr= 1--     -42.810                 25.751                  3.680
 CID2   Fr= 1--     -16.719                 26.019                  3.439
 Raman3 Fr= 1--       5.121                  1.979                  2.140
 ROA3   Fr= 1--    -167.592                101.320                 16.281
 CID3   Fr= 1--     -32.726                 51.188                  7.609
 RC180  Fr= 1--       0.120                  0.230                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     18.0528                 1.2773                 4.2806
  Dep-P Fr= 1--      0.1999                 0.7312                 0.2235
  Dep-U Fr= 1--      0.3332                 0.8447                 0.3654
 Alpha2 Fr= 1--      0.2452                 0.0004                 0.0546
 Beta2  Fr= 1--      1.0027                 0.1798                 0.2607
 AlphaG Fr= 1--     -0.3595                -0.0046                 0.0382
 Gamma2 Fr= 1--     -0.8970                 0.5272                 0.8036
 Delta2 Fr= 1--      0.1172                -0.0397                 0.4392
 Raman1 Fr= 1--      72.211                  5.109                 17.123
 ROA1   Fr= 1--     -82.359                 49.340                 91.195
 CID1   Fr= 1--      -1.141                  9.657                  5.326
 Raman2 Fr= 1--      12.032                  2.158                  3.128
 ROA2   Fr= 1--     -22.465                 12.970                 15.772
 CID2   Fr= 1--      -1.867                  6.010                  5.042
 Raman3 Fr= 1--      24.064                  4.316                  6.256
 ROA3   Fr= 1--     -82.359                 49.340                 91.195
 CID3   Fr= 1--      -3.423                 11.432                 14.577
 RC180  Fr= 1--      -0.334                  0.689                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      5.3637                 3.7725                10.4614
  Dep-P Fr= 1--      0.1266                 0.7055                 0.0130
  Dep-U Fr= 1--      0.2248                 0.8273                 0.0256
 Alpha2 Fr= 1--      0.0879                 0.0029                 0.2255
 Beta2  Fr= 1--      0.2009                 0.5202                 0.0447
 AlphaG Fr= 1--      0.0330                 0.0015                -0.2238
 Gamma2 Fr= 1--      1.4037                -0.9017                 0.5102
 Delta2 Fr= 1--      0.1583                 0.3393                 0.2513
 Raman1 Fr= 1--      21.455                 15.090                 41.845
 ROA1   Fr= 1--     139.827                -75.709                 57.020
 CID1   Fr= 1--       6.517                 -5.017                  1.363
 Raman2 Fr= 1--       2.411                  6.242                  0.536
 ROA2   Fr= 1--      32.423                -24.356                 10.234
 CID2   Fr= 1--      13.447                 -3.902                 19.085
 Raman3 Fr= 1--       4.822                 12.485                  1.072
 ROA3   Fr= 1--     139.827                -75.709                 57.020
 CID3   Fr= 1--      28.995                 -6.064                 53.169
 RC180  Fr= 1--      -0.550                  0.655                 -0.949
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.5807                 5.6812                 6.4451
  Dep-P Fr= 1--      0.4618                 0.4606                 0.4221
  Dep-U Fr= 1--      0.6318                 0.6307                 0.5936
 Alpha2 Fr= 1--      0.0034                 0.0334                 0.0440
 Beta2  Fr= 1--      0.0611                 0.5972                 0.6376
 AlphaG Fr= 1--     -0.0098                 0.1090                 0.1155
 Gamma2 Fr= 1--      2.5840                -0.9157                 1.2996
 Delta2 Fr= 1--     -0.4358                -0.9158                -0.0791
 Raman1 Fr= 1--       2.323                 22.725                 25.780
 ROA1   Fr= 1--     234.119               -117.214                122.233
 CID1   Fr= 1--     100.790                 -5.158                  4.741
 Raman2 Fr= 1--       0.734                  7.166                  7.652
 ROA2   Fr= 1--      65.503                -14.650                 31.824
 CID2   Fr= 1--      89.270                 -2.044                  4.159
 Raman3 Fr= 1--       1.468                 14.333                 15.303
 ROA3   Fr= 1--     234.119               -117.214                122.233
 CID3   Fr= 1--     159.532                 -8.178                  7.987
 RC180  Fr= 1--       0.264                  0.261                  0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      8.3544                 1.4930                 1.2225
  Dep-P Fr= 1--      0.4989                 0.5836                 0.5065
  Dep-U Fr= 1--      0.6656                 0.7371                 0.6724
 Alpha2 Fr= 1--      0.0415                 0.0046                 0.0059
 Beta2  Fr= 1--      0.9268                 0.1834                 0.1370
 AlphaG Fr= 1--      0.6206                 0.0466                 0.0388
 Gamma2 Fr= 1--     -5.0553                -0.7938                 0.8464
 Delta2 Fr= 1--     -0.3918                -0.1453                 0.0491
 Raman1 Fr= 1--      33.418                  5.972                  4.890
 ROA1   Fr= 1--    -497.845                -80.849                 82.825
 CID1   Fr= 1--     -14.898                -13.538                 16.938
 Raman2 Fr= 1--      11.122                  2.201                  1.644
 ROA2   Fr= 1--    -118.193                -17.888                 19.921
 CID2   Fr= 1--     -10.627                 -8.127                 12.118
 Raman3 Fr= 1--      22.244                  4.402                  3.288
 ROA3   Fr= 1--    -497.845                -80.849                 82.825
 CID3   Fr= 1--     -22.381                -18.366                 25.190
 RC180  Fr= 1--       0.331                  0.474                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.9362                 2.5447                 0.4542
  Dep-P Fr= 1--      0.2938                 0.5586                 0.7410
  Dep-U Fr= 1--      0.4542                 0.7168                 0.8513
 Alpha2 Fr= 1--      0.0202                 0.0093                 0.0001
 Beta2  Fr= 1--      0.1466                 0.3040                 0.0644
 AlphaG Fr= 1--     -0.1166                 0.0759                -0.0064
 Gamma2 Fr= 1--     -1.0655                 1.6066                -0.8397
 Delta2 Fr= 1--     -0.9988                 0.5437                -0.5680
 Raman1 Fr= 1--       7.745                 10.179                  1.817
 ROA1   Fr= 1--    -134.247                171.633                -98.781
 CID1   Fr= 1--     -17.334                 16.862                -54.368
 Raman2 Fr= 1--       1.759                  3.648                  0.773
 ROA2   Fr= 1--     -17.580                 34.209                -15.608
 CID2   Fr= 1--      -9.995                  9.377                -20.183
 Raman3 Fr= 1--       3.518                  7.296                  1.547
 ROA3   Fr= 1--    -134.247                171.633                -98.781
 CID3   Fr= 1--     -38.164                 23.523                -63.867
 RC180  Fr= 1--      -0.092                  0.434                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.4447                 1.0490                 5.5246
  Dep-P Fr= 1--      0.7437                 0.3058                 0.0630
  Dep-U Fr= 1--      0.8530                 0.4684                 0.1185
 Alpha2 Fr= 1--      0.0002                 0.0106                 0.1058
 Beta2  Fr= 1--      0.2054                 0.0819                 0.1091
 AlphaG Fr= 1--     -0.0060                 0.0290                -0.2573
 Gamma2 Fr= 1--     -0.1512                -0.5326                -0.5846
 Delta2 Fr= 1--      0.3240                 0.0744                 0.3778
 Raman1 Fr= 1--       5.779                  4.196                 22.098
 ROA1   Fr= 1--      -4.144                -48.746                -44.029
 CID1   Fr= 1--      -0.717                -11.617                 -1.992
 Raman2 Fr= 1--       2.465                  0.983                  1.309
 ROA2   Fr= 1--      -6.219                -13.377                -17.053
 CID2   Fr= 1--      -2.523                -13.613                -13.027
 Raman3 Fr= 1--       4.929                  1.965                  2.618
 ROA3   Fr= 1--      -4.144                -48.746                -44.029
 CID3   Fr= 1--      -0.841                -24.802                -16.818
 RC180  Fr= 1--       0.706                 -0.063                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.9188                 0.6271                 1.1433
  Dep-P Fr= 1--      0.3767                 0.7487                 0.5684
  Dep-U Fr= 1--      0.5473                 0.8563                 0.7248
 Alpha2 Fr= 1--      0.0154                 0.0000                 0.0039
 Beta2  Fr= 1--      0.1750                 0.0895                 0.1381
 AlphaG Fr= 1--     -0.0817                -0.0027                 0.0213
 Gamma2 Fr= 1--     -1.5289                 1.5385                -1.6108
 Delta2 Fr= 1--      0.1421                -0.2643                -1.4238
 Raman1 Fr= 1--       7.675                  2.508                  4.573
 ROA1   Fr= 1--    -142.229                139.237               -200.197
 CID1   Fr= 1--     -18.531                 55.507                -43.774
 Raman2 Fr= 1--       2.100                  1.074                  1.657
 ROA2   Fr= 1--     -37.831                 39.038                -27.269
 CID2   Fr= 1--     -18.013                 36.349                -16.453
 Raman3 Fr= 1--       4.201                  2.148                  3.315
 ROA3   Fr= 1--    -142.229                139.237               -200.197
 CID3   Fr= 1--     -33.860                 64.824                -60.395
 RC180  Fr= 1--       0.095                  0.713                  0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      5.7814                 2.9591                21.1722
  Dep-P Fr= 1--      0.3285                 0.3325                 0.0443
  Dep-U Fr= 1--      0.4946                 0.4990                 0.0848
 Alpha2 Fr= 1--      0.0543                 0.0275                 0.4239
 Beta2  Fr= 1--      0.4765                 0.2461                 0.2992
 AlphaG Fr= 1--     -0.3966                 0.1882                -0.4530
 Gamma2 Fr= 1--     -2.6434                -2.2390                -4.0792
 Delta2 Fr= 1--      0.4613                -1.1313                -0.3197
 Raman1 Fr= 1--      23.126                 11.836                 84.689
 ROA1   Fr= 1--    -239.000               -251.145               -401.833
 CID1   Fr= 1--     -10.335                -21.218                 -4.745
 Raman2 Fr= 1--       5.718                  2.953                  3.591
 ROA2   Fr= 1--     -67.131                -44.685                -95.344
 CID2   Fr= 1--     -11.739                -15.131                -26.553
 Raman3 Fr= 1--      11.437                  5.906                  7.181
 ROA3   Fr= 1--    -239.000               -251.145               -401.833
 CID3   Fr= 1--     -20.897                -42.521                -55.954
 RC180  Fr= 1--      -0.011                 -0.002                 -0.830
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.5376                 6.0340                 1.2907
  Dep-P Fr= 1--      0.1571                 0.2369                 0.6352
  Dep-U Fr= 1--      0.2715                 0.3831                 0.7769
 Alpha2 Fr= 1--      0.0993                 0.0742                 0.0027
 Beta2  Fr= 1--      0.2959                 0.3852                 0.1671
 AlphaG Fr= 1--      0.1486                -0.4211                -0.0099
 Gamma2 Fr= 1--     -0.8212                 0.7938                 0.1014
 Delta2 Fr= 1--     -0.3491                -0.8326                 0.3006
 Raman1 Fr= 1--      26.151                 24.136                  5.163
 ROA1   Fr= 1--     -90.007                 49.563                 19.351
 CID1   Fr= 1--      -3.442                  2.053                  3.748
 Raman2 Fr= 1--       3.550                  4.623                  2.006
 ROA2   Fr= 1--     -16.916                 25.712                  0.029
 CID2   Fr= 1--      -4.765                  5.562                  0.014
 Raman3 Fr= 1--       7.101                  9.245                  4.011
 ROA3   Fr= 1--     -90.007                 49.563                 19.351
 CID3   Fr= 1--     -12.676                  5.361                  4.824
 RC180  Fr= 1--      -0.457                 -0.234                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      4.6947                 4.7096                 4.4873
  Dep-P Fr= 1--      0.7476                 0.5511                 0.2474
  Dep-U Fr= 1--      0.8556                 0.7106                 0.3967
 Alpha2 Fr= 1--      0.0002                 0.0179                 0.0536
 Beta2  Fr= 1--      0.6695                 0.5578                 0.2967
 AlphaG Fr= 1--     -0.0033                -0.0474                 0.0034
 Gamma2 Fr= 1--     -3.1547                -1.5221                 1.8922
 Delta2 Fr= 1--     -0.9221                -0.1957                 0.5302
 Raman1 Fr= 1--      18.779                 18.838                 17.949
 ROA1   Fr= 1--    -332.356               -152.388                198.614
 CID1   Fr= 1--     -17.699                 -8.089                 11.065
 Raman2 Fr= 1--       8.033                  6.693                  3.560
 ROA2   Fr= 1--     -68.336                -34.966                 41.170
 CID2   Fr= 1--      -8.506                 -5.224                 11.563
 Raman3 Fr= 1--      16.067                 13.387                  7.121
 ROA3   Fr= 1--    -332.356               -152.388                198.614
 CID3   Fr= 1--     -20.686                -11.383                 27.892
 RC180  Fr= 1--       0.711                  0.421                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      2.9163                 3.6972                 0.9872
  Dep-P Fr= 1--      0.0854                 0.0504                 0.5758
  Dep-U Fr= 1--      0.1573                 0.0959                 0.7308
 Alpha2 Fr= 1--      0.0529                 0.0730                 0.0032
 Beta2  Fr= 1--      0.0765                 0.0591                 0.1202
 AlphaG Fr= 1--     -0.0742                 0.0160                 0.0080
 Gamma2 Fr= 1--     -0.4566                -1.9494                 2.3427
 Delta2 Fr= 1--     -0.0171                -1.2142                 1.4327
 Raman1 Fr= 1--      11.665                 14.789                  3.949
 ROA1   Fr= 1--     -44.386               -225.999                270.741
 CID1   Fr= 1--      -3.805                -15.282                 68.560
 Raman2 Fr= 1--       0.918                  0.709                  1.443
 ROA2   Fr= 1--     -10.822                -37.073                 44.762
 CID2   Fr= 1--     -11.793                -52.261                 31.021
 Raman3 Fr= 1--       1.835                  1.419                  2.886
 ROA3   Fr= 1--     -44.386               -225.999                270.741
 CID3   Fr= 1--     -24.183               -159.293                 93.813
 RC180  Fr= 1--      -0.685                 -0.808                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      1.2498                 2.2176                 0.8155
  Dep-P Fr= 1--      0.4887                 0.4494                 0.7496
  Dep-U Fr= 1--      0.6566                 0.6201                 0.8569
 Alpha2 Fr= 1--      0.0065                 0.0136                 0.0000
 Beta2  Fr= 1--      0.1368                 0.2292                 0.1165
 AlphaG Fr= 1--      0.0150                 0.0560                 0.0017
 Gamma2 Fr= 1--     -0.6913                 2.6548                -0.9660
 Delta2 Fr= 1--      1.8204                 0.3651                 0.0157
 Raman1 Fr= 1--       4.999                  8.871                  3.262
 ROA1   Fr= 1--      -8.113                266.546                -92.231
 CID1   Fr= 1--      -1.623                 30.048                -28.273
 Raman2 Fr= 1--       1.641                  2.750                  1.398
 ROA2   Fr= 1--     -31.154                 60.795                -23.308
 CID2   Fr= 1--     -18.984                 22.105                -16.677
 Raman3 Fr= 1--       3.282                  5.501                  2.795
 ROA3   Fr= 1--      -8.113                266.546                -92.231
 CID3   Fr= 1--      -2.472                 48.458                -32.995
 RC180  Fr= 1--       0.313                  0.240                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.5428                 1.2316                 0.4855
  Dep-P Fr= 1--      0.5261                 0.3395                 0.2917
  Dep-U Fr= 1--      0.6895                 0.5069                 0.4517
 Alpha2 Fr= 1--      0.0024                 0.0112                 0.0051
 Beta2  Fr= 1--      0.0624                 0.1041                 0.0365
 AlphaG Fr= 1--      0.0899                 0.1130                 0.0044
 Gamma2 Fr= 1--     -0.2539                -0.3103                -0.5271
 Delta2 Fr= 1--      0.3632                -0.4024                 0.0017
 Raman1 Fr= 1--       2.171                  4.926                  1.942
 ROA1   Fr= 1--     -12.749                -42.667                -50.543
 CID1   Fr= 1--      -5.872                 -8.661                -26.026
 Raman2 Fr= 1--       0.748                  1.249                  0.439
 ROA2   Fr= 1--      -8.998                 -4.229                -12.663
 CID2   Fr= 1--     -12.022                 -3.387                -28.873
 Raman3 Fr= 1--       1.497                  2.497                  0.877
 ROA3   Fr= 1--     -12.749                -42.667                -50.543
 CID3   Fr= 1--      -8.517                -17.086                -57.622
 RC180  Fr= 1--       0.379                  0.014                 -0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.5932                 3.0153                 4.6009
  Dep-P Fr= 1--      0.0269                 0.3254                 0.7079
  Dep-U Fr= 1--      0.0524                 0.4911                 0.8290
 Alpha2 Fr= 1--      0.0124                 0.0286                 0.0034
 Beta2  Fr= 1--      0.0052                 0.2468                 0.6357
 AlphaG Fr= 1--      0.0546                -0.0862                -0.0188
 Gamma2 Fr= 1--      0.2913                 3.5044                 5.3599
 Delta2 Fr= 1--     -0.0100                -0.7159                 1.5207
 Raman1 Fr= 1--       2.373                 12.061                 18.404
 ROA1   Fr= 1--      27.645                313.516                563.210
 CID1   Fr= 1--      11.651                 25.993                 30.603
 Raman2 Fr= 1--       0.062                  2.962                  7.628
 ROA2   Fr= 1--       7.072                 89.834                116.471
 CID2   Fr= 1--     113.862                 30.334                 15.269
 Raman3 Fr= 1--       0.124                  5.923                 15.256
 ROA3   Fr= 1--      27.645                313.516                563.210
 CID3   Fr= 1--     222.558                 52.932                 36.917
 RC180  Fr= 1--      -0.895                 -0.018                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      3.7735                 1.6874                 1.0358
  Dep-P Fr= 1--      0.7152                 0.3710                 0.7493
  Dep-U Fr= 1--      0.8339                 0.5412                 0.8567
 Alpha2 Fr= 1--      0.0023                 0.0138                 0.0000
 Beta2  Fr= 1--      0.5245                 0.1522                 0.1479
 AlphaG Fr= 1--      0.0035                -0.0165                 0.0011
 Gamma2 Fr= 1--     -1.0018                -0.6003                -0.1925
 Delta2 Fr= 1--     -1.2401                -0.8794                -0.1940
 Raman1 Fr= 1--      15.094                  6.750                  4.143
 ROA1   Fr= 1--    -135.859                -85.770                -24.685
 CID1   Fr= 1--      -9.001                -12.708                 -5.958
 Raman2 Fr= 1--       6.294                  1.826                  1.775
 ROA2   Fr= 1--     -14.124                 -7.373                 -3.068
 CID2   Fr= 1--      -2.244                 -4.036                 -1.729
 Raman3 Fr= 1--      12.587                  3.653                  3.550
 ROA3   Fr= 1--    -135.859                -85.770                -24.685
 CID3   Fr= 1--     -10.793                -23.480                 -6.954
 RC180  Fr= 1--       0.668                  0.082                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      4.1344                 2.6579                 1.0208
  Dep-P Fr= 1--      0.0983                 0.3757                 0.7439
  Dep-U Fr= 1--      0.1790                 0.5462                 0.8531
 Alpha2 Fr= 1--      0.0727                 0.0214                 0.0001
 Beta2  Fr= 1--      0.1234                 0.2419                 0.1451
 AlphaG Fr= 1--     -0.1829                -0.0800                 0.0134
 Gamma2 Fr= 1--      2.6407                 3.1618                 0.9493
 Delta2 Fr= 1--      0.8765                 0.6630                -1.0531
 Raman1 Fr= 1--      16.537                 10.632                  4.083
 ROA1   Fr= 1--     281.553                324.747                 57.438
 CID1   Fr= 1--      17.025                 30.545                 14.066
 Raman2 Fr= 1--       1.480                  2.903                  1.742
 ROA2   Fr= 1--      56.364                 70.579                 31.208
 CID2   Fr= 1--      38.079                 24.309                 17.918
 Raman3 Fr= 1--       2.960                  5.807                  3.484
 ROA3   Fr= 1--     281.553                324.747                 57.438
 CID3   Fr= 1--      95.106                 55.926                 16.488
 RC180  Fr= 1--      -0.642                  0.092                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.1401                 4.0826                 0.9665
  Dep-P Fr= 1--      0.6654                 0.5929                 0.5269
  Dep-U Fr= 1--      0.7991                 0.7444                 0.6902
 Alpha2 Fr= 1--      0.0017                 0.0119                 0.0042
 Beta2  Fr= 1--      0.1518                 0.5065                 0.1112
 AlphaG Fr= 1--      0.0033                -0.1291                -0.0313
 Gamma2 Fr= 1--      2.2917                -5.3137                 0.0772
 Delta2 Fr= 1--      1.6407                -0.6706                 0.0066
 Raman1 Fr= 1--       4.561                 16.330                  3.866
 ROA1   Fr= 1--     272.506               -531.571                  7.624
 CID1   Fr= 1--      59.753                -32.551                  1.972
 Raman2 Fr= 1--       1.822                  6.078                  1.334
 ROA2   Fr= 1--      41.876               -122.163                  1.801
 CID2   Fr= 1--      22.982                -20.098                  1.350
 Raman3 Fr= 1--       3.644                 12.157                  2.668
 ROA3   Fr= 1--     272.506               -531.571                  7.624
 CID3   Fr= 1--      74.778                -43.727                  2.858
 RC180  Fr= 1--       0.598                  0.489                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      2.2134                 0.7084                 2.0866
  Dep-P Fr= 1--      0.0973                 0.6374                 0.5903
  Dep-U Fr= 1--      0.1773                 0.7785                 0.7423
 Alpha2 Fr= 1--      0.0390                 0.0014                 0.0062
 Beta2  Fr= 1--      0.0654                 0.0919                 0.2582
 AlphaG Fr= 1--      0.1465                 0.0062                 0.0050
 Gamma2 Fr= 1--     -0.3046                -2.7329                 1.1495
 Delta2 Fr= 1--     -0.5357                -0.7533                 0.6972
 Raman1 Fr= 1--       8.854                  2.834                  8.346
 ROA1   Fr= 1--     -46.388               -286.466                132.667
 CID1   Fr= 1--      -5.239               -101.096                 15.895
 Raman2 Fr= 1--       0.785                  1.103                  3.098
 ROA2   Fr= 1--      -3.026                -59.564                 22.011
 CID2   Fr= 1--      -3.856                -54.001                  7.105
 Raman3 Fr= 1--       1.570                  2.206                  6.196
 ROA3   Fr= 1--     -46.388               -286.466                132.667
 CID3   Fr= 1--     -29.554               -129.857                 21.413
 RC180  Fr= 1--      -0.645                  0.557                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.4024                 2.1126                 0.8670
  Dep-P Fr= 1--      0.4230                 0.4246                 0.6474
  Dep-U Fr= 1--      0.5945                 0.5961                 0.7859
 Alpha2 Fr= 1--      0.0027                 0.0143                 0.0016
 Beta2  Fr= 1--      0.0399                 0.2099                 0.1136
 AlphaG Fr= 1--      0.0467                -0.0412                 0.0063
 Gamma2 Fr= 1--     -2.0506                -1.3212                -0.0839
 Delta2 Fr= 1--     -0.4718                 0.5816                 0.2390
 Raman1 Fr= 1--       1.610                  8.450                  3.468
 ROA1   Fr= 1--    -211.957               -108.225                 -0.406
 CID1   Fr= 1--    -131.674                -12.807                 -0.117
 Raman2 Fr= 1--       0.479                  2.518                  1.363
 ROA2   Fr= 1--     -45.440                -36.362                 -3.925
 CID2   Fr= 1--     -94.960                -14.438                 -2.880
 Raman3 Fr= 1--       0.957                  5.037                  2.726
 ROA3   Fr= 1--    -211.957               -108.225                 -0.406
 CID3   Fr= 1--    -221.473                -21.486                 -0.149
 RC180  Fr= 1--       0.189                  0.192                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      5.4570                 0.6334                 2.1999
  Dep-P Fr= 1--      0.1374                 0.7300                 0.3570
  Dep-U Fr= 1--      0.2415                 0.8439                 0.5262
 Alpha2 Fr= 1--      0.0871                 0.0002                 0.0189
 Beta2  Fr= 1--      0.2197                 0.0891                 0.1929
 AlphaG Fr= 1--      0.1451                -0.0025                -0.0374
 Gamma2 Fr= 1--     -4.2454                 2.1909                -3.2475
 Delta2 Fr= 1--     -3.1030                 1.3276                -0.5172
 Raman1 Fr= 1--      21.828                  2.533                  8.800
 ROA1   Fr= 1--    -506.857                252.807               -328.306
 CID1   Fr= 1--     -23.221                 99.787                -37.309
 Raman2 Fr= 1--       2.636                  1.069                  2.315
 ROA2   Fr= 1--     -77.066                 41.960                -73.802
 CID2   Fr= 1--     -29.235                 39.250                -31.880
 Raman3 Fr= 1--       5.272                  2.138                  4.630
 ROA3   Fr= 1--    -506.857                252.807               -328.306
 CID3   Fr= 1--     -96.137                118.239                -70.908
 RC180  Fr= 1--      -0.517                  0.688                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      0.9924                11.3066                 1.2645
  Dep-P Fr= 1--      0.4775                 0.3149                 0.6318
  Dep-U Fr= 1--      0.6464                 0.4790                 0.7744
 Alpha2 Fr= 1--      0.0054                 0.1109                 0.0027
 Beta2  Fr= 1--      0.1069                 0.9026                 0.1632
 AlphaG Fr= 1--     -0.0137                 0.0556                 0.0376
 Gamma2 Fr= 1--     -1.0762                 6.7847                 2.0343
 Delta2 Fr= 1--     -0.6713                -1.4870                 0.6937
 Raman1 Fr= 1--       3.970                 45.227                  5.058
 ROA1   Fr= 1--    -124.800                603.747                217.491
 CID1   Fr= 1--     -31.437                 13.349                 42.999
 Raman2 Fr= 1--       1.283                 10.831                  1.958
 ROA2   Fr= 1--     -20.460                174.729                 43.273
 CID2   Fr= 1--     -15.948                 16.133                 22.096
 Raman3 Fr= 1--       2.566                 21.662                  3.917
 ROA3   Fr= 1--    -124.800                603.747                217.491
 CID3   Fr= 1--     -48.638                 27.872                 55.528
 RC180  Fr= 1--       0.293                 -0.042                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      2.4820                12.8356                 6.9997
  Dep-P Fr= 1--      0.5217                 0.1924                 0.7452
  Dep-U Fr= 1--      0.6857                 0.3227                 0.8540
 Alpha2 Fr= 1--      0.0110                 0.1778                 0.0006
 Beta2  Fr= 1--      0.2837                 0.6904                 0.9963
 AlphaG Fr= 1--     -0.1245                 0.3014                 0.0100
 Gamma2 Fr= 1--     -2.7420                 8.6730                -6.5751
 Delta2 Fr= 1--     -0.9514                 2.3419                -2.7499
 Raman1 Fr= 1--       9.928                 51.343                 27.999
 ROA1   Fr= 1--    -293.681                907.544               -719.210
 CID1   Fr= 1--     -29.581                 17.676                -25.687
 Raman2 Fr= 1--       3.404                  8.285                 11.956
 ROA2   Fr= 1--     -58.198                189.416               -135.804
 CID2   Fr= 1--     -17.097                 22.864                -11.359
 Raman3 Fr= 1--       6.808                 16.569                 23.912
 ROA3   Fr= 1--    -293.681                907.544               -719.210
 CID3   Fr= 1--     -43.139                 54.773                -30.078
 RC180  Fr= 1--       0.371                 -0.355                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     13.0578                22.1585                 5.7471
  Dep-P Fr= 1--      0.1517                 0.0545                 0.2497
  Dep-U Fr= 1--      0.2635                 0.1034                 0.3996
 Alpha2 Fr= 1--      0.2010                 0.4330                 0.0682
 Beta2  Fr= 1--      0.5734                 0.3818                 0.3827
 AlphaG Fr= 1--      0.1284                 0.6149                -0.5804
 Gamma2 Fr= 1--     -2.4010                 1.7935                 4.5314
 Delta2 Fr= 1--     -0.5570                -1.2700                -2.1760
 Raman1 Fr= 1--      52.231                 88.634                 22.988
 ROA1   Fr= 1--    -248.322                131.533                365.384
 CID1   Fr= 1--      -4.754                  1.484                 15.894
 Raman2 Fr= 1--       6.881                  4.581                  4.593
 ROA2   Fr= 1--     -53.168                 53.204                126.162
 CID2   Fr= 1--      -7.727                 11.614                 27.470
 Raman3 Fr= 1--      13.762                  9.162                  9.185
 ROA3   Fr= 1--    -248.322                131.533                365.384
 CID3   Fr= 1--     -18.044                 14.356                 39.779
 RC180  Fr= 1--      -0.473                 -0.793                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.2013                 3.5722                 5.3446
  Dep-P Fr= 1--      0.5405                 0.7426                 0.5820
  Dep-U Fr= 1--      0.7017                 0.8523                 0.7358
 Alpha2 Fr= 1--      0.0048                 0.0005                 0.0168
 Beta2  Fr= 1--      0.1405                 0.5074                 0.6554
 AlphaG Fr= 1--     -0.0117                 0.0178                 0.0387
 Gamma2 Fr= 1--     -1.0008                -0.8177                 5.0319
 Delta2 Fr= 1--     -0.3204                 0.4278                 3.2567
 Raman1 Fr= 1--       4.805                 14.289                 21.378
 ROA1   Fr= 1--    -106.328                -64.808                587.281
 CID1   Fr= 1--     -22.127                 -4.536                 27.471
 Raman2 Fr= 1--       1.686                  6.089                  7.865
 ROA2   Fr= 1--     -21.456                -23.047                 94.713
 CID2   Fr= 1--     -12.726                 -3.785                 12.043
 Raman3 Fr= 1--       3.372                 12.178                 15.730
 ROA3   Fr= 1--    -106.328                -64.808                587.281
 CID3   Fr= 1--     -31.531                 -5.322                 37.336
 RC180  Fr= 1--       0.403                  0.705                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--     12.5024                 9.4640                 7.5686
  Dep-P Fr= 1--      0.3304                 0.3521                 0.1992
  Dep-U Fr= 1--      0.4967                 0.5209                 0.3322
 Alpha2 Fr= 1--      0.1168                 0.0825                 0.1030
 Beta2  Fr= 1--      1.0349                 0.8216                 0.4191
 AlphaG Fr= 1--     -0.0798                 0.0579                -0.1039
 Gamma2 Fr= 1--     -4.0865                -3.4667                -1.8854
 Delta2 Fr= 1--     -1.6449                -2.1852                -1.4387
 Raman1 Fr= 1--      50.009                 37.856                 30.274
 ROA1   Fr= 1--    -444.944               -402.728               -227.034
 CID1   Fr= 1--      -8.897                -10.638                 -7.499
 Raman2 Fr= 1--      12.419                  9.859                  5.029
 ROA2   Fr= 1--     -84.918                -65.719                -33.740
 CID2   Fr= 1--      -6.838                 -6.666                 -6.709
 Raman3 Fr= 1--      24.838                 19.718                 10.058
 ROA3   Fr= 1--    -444.944               -402.728               -227.034
 CID3   Fr= 1--     -17.914                -20.424                -22.572
 RC180  Fr= 1--      -0.007                  0.042                 -0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     33.4188                 3.4679                 1.4774
  Dep-P Fr= 1--      0.2077                 0.2775                 0.1769
  Dep-U Fr= 1--      0.3439                 0.4345                 0.3007
 Alpha2 Fr= 1--      0.4447                 0.0380                 0.0213
 Beta2  Fr= 1--      1.9155                 0.2511                 0.0740
 AlphaG Fr= 1--      0.0822                 0.0148                 0.1427
 Gamma2 Fr= 1--      8.2752                -1.2127                 1.6927
 Delta2 Fr= 1--     -1.6888                -0.2541                 0.2027
 Raman1 Fr= 1--     133.675                 13.872                  5.910
 ROA1   Fr= 1--     740.373               -124.555                168.984
 CID1   Fr= 1--       5.539                 -8.979                 28.594
 Raman2 Fr= 1--      22.986                  3.014                  0.888
 ROA2   Fr= 1--     212.115                -27.073                 39.002
 CID2   Fr= 1--       9.228                 -8.984                 43.899
 Raman3 Fr= 1--      45.973                  6.027                  1.777
 ROA3   Fr= 1--     740.373               -124.555                168.984
 CID3   Fr= 1--      16.105                -20.666                 95.101
 RC180  Fr= 1--      -0.312                 -0.131                 -0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      6.7602                 7.6252                17.3745
  Dep-P Fr= 1--      0.1983                 0.1640                 0.2543
  Dep-U Fr= 1--      0.3310                 0.2817                 0.4055
 Alpha2 Fr= 1--      0.0922                 0.1138                 0.2034
 Beta2  Fr= 1--      0.3730                 0.3580                 1.1743
 AlphaG Fr= 1--     -0.6290                -0.8507                -0.9816
 Gamma2 Fr= 1--      0.4596                -0.2778                -0.3127
 Delta2 Fr= 1--      1.2840                 0.5798                -1.0939
 Raman1 Fr= 1--      27.041                 30.501                 69.498
 ROA1   Fr= 1--      85.205                 -8.116                -65.024
 CID1   Fr= 1--       3.151                 -0.266                 -0.936
 Raman2 Fr= 1--       4.476                  4.297                 14.092
 ROA2   Fr= 1--       0.757                -11.306                  1.246
 CID2   Fr= 1--       0.169                 -2.631                  0.088
 Raman3 Fr= 1--       8.951                  8.593                 28.183
 ROA3   Fr= 1--      85.205                 -8.116                -65.024
 CID3   Fr= 1--       9.519                 -0.944                 -2.307
 RC180  Fr= 1--      -0.338                 -0.437                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      4.9875                29.8670                25.8380
  Dep-P Fr= 1--      0.7429                 0.3572                 0.3203
  Dep-U Fr= 1--      0.8525                 0.5263                 0.4852
 Alpha2 Fr= 1--      0.0006                 0.2562                 0.2492
 Beta2  Fr= 1--      0.7086                 2.6200                 2.0894
 AlphaG Fr= 1--     -0.0230                 0.6942                -0.0029
 Gamma2 Fr= 1--     -4.2433               -25.9118                -6.3476
 Delta2 Fr= 1--      1.9882                -4.1442                -2.0144
 Raman1 Fr= 1--      19.950                119.468                103.352
 ROA1   Fr= 1--    -343.737              -2620.151               -673.832
 CID1   Fr= 1--     -17.230                -21.932                 -6.520
 Raman2 Fr= 1--       8.503                 31.440                 25.073
 ROA2   Fr= 1--    -117.746               -588.730               -136.228
 CID2   Fr= 1--     -13.847                -18.725                 -5.433
 Raman3 Fr= 1--      17.007                 62.881                 50.146
 ROA3   Fr= 1--    -343.737              -2620.151               -673.832
 CID3   Fr= 1--     -20.212                -41.669                -13.437
 RC180  Fr= 1--       0.705                  0.053                 -0.030
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      7.7714                10.2415                 5.2507
  Dep-P Fr= 1--      0.6715                 0.6506                 0.6773
  Dep-U Fr= 1--      0.8034                 0.7883                 0.8076
 Alpha2 Fr= 1--      0.0108                 0.0183                 0.0067
 Beta2  Fr= 1--      1.0406                 1.3456                 0.7068
 AlphaG Fr= 1--     -0.1394                -0.1639                -0.0359
 Gamma2 Fr= 1--      2.3524                -7.0054                 0.7812
 Delta2 Fr= 1--      1.8506                -0.4041                -0.3242
 Raman1 Fr= 1--      31.086                 40.966                 21.003
 ROA1   Fr= 1--     285.050               -685.450                 64.623
 CID1   Fr= 1--       9.170                -16.732                  3.077
 Raman2 Fr= 1--      12.488                 16.148                  8.481
 ROA2   Fr= 1--      41.653               -164.897                 21.343
 CID2   Fr= 1--       3.336                -10.212                  2.517
 Raman3 Fr= 1--      24.975                 32.295                 16.963
 ROA3   Fr= 1--     285.050               -685.450                 64.623
 CID3   Fr= 1--      11.413                -21.224                  3.810
 RC180  Fr= 1--       0.607                  0.577                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      7.8699                17.4119                32.1938
  Dep-P Fr= 1--      0.7120                 0.5261                 0.1237
  Dep-U Fr= 1--      0.8318                 0.6894                 0.2201
 Alpha2 Fr= 1--      0.0052                 0.0757                 0.5317
 Beta2  Fr= 1--      1.0910                 2.0007                 1.1810
 AlphaG Fr= 1--      0.0045                -0.0978                -0.2989
 Gamma2 Fr= 1--     13.7626               -20.7374                 9.2879
 Delta2 Fr= 1--      6.6791                -5.9117                 3.7683
 Raman1 Fr= 1--      31.480                 69.648                128.775
 ROA1   Fr= 1--    1534.942              -2179.960               1012.226
 CID1   Fr= 1--      48.760                -31.300                  7.860
 Raman2 Fr= 1--      13.092                 24.009                 14.172
 ROA2   Fr= 1--     276.870               -450.403                192.764
 CID2   Fr= 1--      21.148                -18.760                 13.601
 Raman3 Fr= 1--      26.185                 48.018                 28.345
 ROA3   Fr= 1--    1534.942              -2179.960               1012.226
 CID3   Fr= 1--      58.620                -45.399                 35.711
 RC180  Fr= 1--       0.664                  0.379                 -0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      8.2332                 2.4959                 4.5876
  Dep-P Fr= 1--      0.4150                 0.1788                 0.4942
  Dep-U Fr= 1--      0.5866                 0.3034                 0.6615
 Alpha2 Fr= 1--      0.0577                 0.0358                 0.0233
 Beta2  Fr= 1--      0.8050                 0.1262                 0.5058
 AlphaG Fr= 1--      0.0741                -0.0338                -0.1834
 Gamma2 Fr= 1--     -3.4299                 0.9296                -3.3442
 Delta2 Fr= 1--      2.8548                -0.6768                -0.9082
 Raman1 Fr= 1--      32.933                  9.984                 18.350
 ROA1   Fr= 1--    -237.922                 67.582               -350.108
 CID1   Fr= 1--      -7.224                  6.769                -19.079
 Raman2 Fr= 1--       9.659                  1.515                  6.069
 ROA2   Fr= 1--    -105.157                 27.725                -72.996
 CID2   Fr= 1--     -10.886                 18.305                -12.028
 Raman3 Fr= 1--      19.319                  3.029                 12.138
 ROA3   Fr= 1--    -237.922                 67.582               -350.108
 CID3   Fr= 1--     -12.316                 22.311                -28.844
 RC180  Fr= 1--       0.173                 -0.393                  0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     17.8955                 2.9499                17.1237
  Dep-P Fr= 1--      0.7237                 0.7461                 0.7372
  Dep-U Fr= 1--      0.8397                 0.8546                 0.8487
 Alpha2 Fr= 1--      0.0081                 0.0002                 0.0038
 Beta2  Fr= 1--      2.5045                 0.4202                 2.4221
 AlphaG Fr= 1--      0.1464                 0.0002                 0.1120
 Gamma2 Fr= 1--     10.7558                 6.1290               -11.6540
 Delta2 Fr= 1--      4.7177                 2.3455                -4.1614
 Raman1 Fr= 1--      71.582                 11.800                 68.495
 ROA1   Fr= 1--    1183.528                663.437              -1251.949
 CID1   Fr= 1--      16.534                 56.225                -18.278
 Raman2 Fr= 1--      30.054                  5.042                 29.065
 ROA2   Fr= 1--     220.398                128.331               -246.404
 CID2   Fr= 1--       7.333                 25.452                 -8.478
 Raman3 Fr= 1--      60.109                 10.084                 58.131
 ROA3   Fr= 1--    1183.528                663.437              -1251.949
 CID3   Fr= 1--      19.690                 65.792                -21.537
 RC180  Fr= 1--       0.679                  0.709                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    246.7562               243.0595               169.3267
  Dep-P Fr= 1--      0.2199                 0.2466                 0.1761
  Dep-U Fr= 1--      0.3606                 0.3956                 0.2994
 Alpha2 Fr= 1--      3.1767                 2.9085                 2.4484
 Beta2  Fr= 1--     14.8289                16.0255                 8.4497
 AlphaG Fr= 1--     -5.2009                 2.2611                -0.6610
 Gamma2 Fr= 1--    -14.3337                 0.0176                -6.6757
 Delta2 Fr= 1--     10.9049               -10.1174                 0.3669
 Raman1 Fr= 1--     987.025                972.238                677.307
 ROA1   Fr= 1--   -1027.081               -322.071               -629.125
 CID1   Fr= 1--      -1.041                 -0.331                 -0.929
 Raman2 Fr= 1--     177.947                192.306                101.397
 ROA2   Fr= 1--    -431.248                 81.360               -163.152
 CID2   Fr= 1--      -2.423                  0.423                 -1.609
 Raman3 Fr= 1--     355.894                384.612                202.794
 ROA3   Fr= 1--   -1027.081               -322.071               -629.125
 CID3   Fr= 1--      -2.886                 -0.837                 -3.102
 RC180  Fr= 1--      -0.279                 -0.209                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    211.4312                32.8044                79.1430
  Dep-P Fr= 1--      0.1185                 0.0970                 0.6849
  Dep-U Fr= 1--      0.2119                 0.1769                 0.8130
 Alpha2 Fr= 1--      3.5370                 0.5785                 0.0906
 Beta2  Fr= 1--      7.4663                 0.9672                10.7234
 AlphaG Fr= 1--      0.1771                -0.7746                 0.1155
 Gamma2 Fr= 1--      3.9737               -14.4206                42.3382
 Delta2 Fr= 1--     -4.9609                 0.4532                -2.3104
 Raman1 Fr= 1--     845.725                131.218                316.572
 ROA1   Fr= 1--     222.730              -1369.873               3990.531
 CID1   Fr= 1--       0.263                -10.440                 12.605
 Raman2 Fr= 1--      89.596                 11.607                128.681
 ROA2   Fr= 1--     135.056               -349.719               1034.599
 CID2   Fr= 1--       1.507                -30.131                  8.040
 Raman3 Fr= 1--     179.192                 23.213                257.362
 ROA3   Fr= 1--     222.730              -1369.873               3990.531
 CID3   Fr= 1--       1.243                -59.012                 15.506
 RC180  Fr= 1--      -0.576                 -0.646                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    432.9203               171.9683               108.0589
  Dep-P Fr= 1--      0.1443                 0.0334                 0.7489
  Dep-U Fr= 1--      0.2521                 0.0647                 0.8564
 Alpha2 Fr= 1--      6.7906                 3.5331                 0.0021
 Beta2  Fr= 1--     18.1922                 1.8544                15.4238
 AlphaG Fr= 1--      4.8252                 3.0167                -0.0926
 Gamma2 Fr= 1--      1.4901               -12.2078                22.2807
 Delta2 Fr= 1--      9.7068               -13.1199                 0.3800
 Raman1 Fr= 1--    1731.681                687.873                432.236
 ROA1   Fr= 1--     453.666              -1591.789               2151.111
 CID1   Fr= 1--       0.262                 -2.314                  4.977
 Raman2 Fr= 1--     218.306                 22.253                185.085
 ROA2   Fr= 1--     -41.892               -188.029                531.697
 CID2   Fr= 1--      -0.192                 -8.450                  2.873
 Raman3 Fr= 1--     436.613                 44.505                370.171
 ROA3   Fr= 1--     453.666              -1591.789               2151.111
 CID3   Fr= 1--       1.039                -35.766                  5.811
 RC180  Fr= 1--      -0.496                 -0.871                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    146.2592                90.4943                31.4002
  Dep-P Fr= 1--      0.3001                 0.2194                 0.2346
  Dep-U Fr= 1--      0.4616                 0.3598                 0.3800
 Alpha2 Fr= 1--      1.4998                 1.1668                 0.3884
 Beta2  Fr= 1--     11.2529                 5.4270                 1.9888
 AlphaG Fr= 1--     -0.1549                -2.3335                -0.1309
 Gamma2 Fr= 1--    -40.0217               -13.2949                 0.4709
 Delta2 Fr= 1--     -3.9214                -2.3732                 3.2172
 Raman1 Fr= 1--     585.037                361.977                125.601
 ROA1   Fr= 1--   -3967.567              -1352.249                148.156
 CID1   Fr= 1--      -6.782                 -3.736                  1.180
 Raman2 Fr= 1--     135.035                 65.124                 23.866
 ROA2   Fr= 1--    -929.149               -300.091                -14.437
 CID2   Fr= 1--      -6.881                 -4.608                 -0.605
 Raman3 Fr= 1--     270.070                130.248                 47.732
 ROA3   Fr= 1--   -3967.567              -1352.249                148.156
 CID3   Fr= 1--     -14.691                -10.382                  3.104
 RC180  Fr= 1--      -0.077                 -0.280                 -0.240
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    267.1083               270.4798               163.3436
  Dep-P Fr= 1--      0.1893                 0.2806                 0.4434
  Dep-U Fr= 1--      0.3183                 0.4382                 0.6144
 Alpha2 Fr= 1--      3.7316                 2.9376                 1.0281
 Beta2  Fr= 1--     14.1694                19.7554                16.7256
 AlphaG Fr= 1--      0.7260                 0.0308                 0.6921
 Gamma2 Fr= 1--     32.1748                38.6223               -30.2167
 Delta2 Fr= 1--     16.7054                13.4441               -23.5007
 Raman1 Fr= 1--    1068.433               1081.919                653.374
 ROA1   Fr= 1--    3623.354               4137.954              -3652.825
 CID1   Fr= 1--       3.391                  3.825                 -5.591
 Raman2 Fr= 1--     170.033                237.064                200.707
 ROA2   Fr= 1--     638.552                819.382               -537.195
 CID2   Fr= 1--       3.755                  3.456                 -2.677
 Raman3 Fr= 1--     340.066                474.129                401.414
 ROA3   Fr= 1--    3623.354               4137.954              -3652.825
 CID3   Fr= 1--      10.655                  8.727                 -9.100
 RC180  Fr= 1--      -0.363                 -0.124                  0.229
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--     91.6823                87.2521                50.1854
  Dep-P Fr= 1--      0.1962                 0.3744                 0.7099
  Dep-U Fr= 1--      0.3281                 0.5448                 0.8304
 Alpha2 Fr= 1--      1.2575                 0.7066                 0.0349
 Beta2  Fr= 1--      5.0133                 7.9225                 6.9453
 AlphaG Fr= 1--     -0.8440                 1.6482                -0.0423
 Gamma2 Fr= 1--    -14.5939                -0.6938               -24.8078
 Delta2 Fr= 1--      0.9128               -16.4713                -9.3796
 Raman1 Fr= 1--     366.729                349.008                200.742
 ROA1   Fr= 1--   -1371.806               -593.686              -2681.696
 CID1   Fr= 1--      -3.741                 -1.701                -13.359
 Raman2 Fr= 1--      60.159                 95.070                 83.344
 ROA2   Fr= 1--    -357.557                115.119               -520.350
 CID2   Fr= 1--      -5.944                  1.211                 -6.243
 Raman3 Fr= 1--     120.318                190.139                166.687
 ROA3   Fr= 1--   -1371.806               -593.686              -2681.696
 CID3   Fr= 1--     -11.401                 -3.122                -16.088
 RC180  Fr= 1--      -0.344                  0.090                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     57.0326                37.3561                43.7200
  Dep-P Fr= 1--      0.6660                 0.6609                 0.5211
  Dep-U Fr= 1--      0.7995                 0.7958                 0.6851
 Alpha2 Fr= 1--      0.0852                 0.0594                 0.1950
 Beta2  Fr= 1--      7.5999                 4.9547                 4.9923
 AlphaG Fr= 1--     -0.0789                 0.0175                 0.0281
 Gamma2 Fr= 1--     27.0225                41.9859                 8.3125
 Delta2 Fr= 1--     10.7166                15.3301                 2.6332
 Raman1 Fr= 1--     228.130                149.425                174.880
 ROA1   Fr= 1--    2937.093               4521.212                882.257
 CID1   Fr= 1--      12.875                 30.257                  5.045
 Raman2 Fr= 1--      91.199                 59.456                 59.908
 ROA2   Fr= 1--     562.807                885.022                178.433
 CID2   Fr= 1--       6.171                 14.885                  2.978
 Raman3 Fr= 1--     182.398                118.912                119.816
 ROA3   Fr= 1--    2937.093               4521.212                882.257
 CID3   Fr= 1--      16.103                 38.021                  7.363
 RC180  Fr= 1--       0.599                  0.592                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     46.9628                92.3456                92.6003
  Dep-P Fr= 1--      0.5387                 0.1927                 0.1877
  Dep-U Fr= 1--      0.7002                 0.3231                 0.3160
 Alpha2 Fr= 1--      0.1911                 1.2785                 1.2991
 Beta2  Fr= 1--      5.4807                 4.9735                 4.8774
 AlphaG Fr= 1--      0.0087                -0.2280                -0.0365
 Gamma2 Fr= 1--     -0.3418                 0.5730                 3.5460
 Delta2 Fr= 1--     -2.8366                 0.1734                 1.3210
 Raman1 Fr= 1--     187.851                369.383                370.401
 ROA1   Fr= 1--    -123.583                 60.560                382.688
 CID1   Fr= 1--      -0.658                  0.164                  1.033
 Raman2 Fr= 1--      65.769                 59.682                 58.528
 ROA2   Fr= 1--      14.491                 12.366                 74.535
 CID2   Fr= 1--       0.220                  0.207                  1.273
 Raman3 Fr= 1--     131.538                119.364                117.057
 ROA3   Fr= 1--    -123.583                 60.560                382.688
 CID3   Fr= 1--      -0.940                  0.507                  3.269
 RC180  Fr= 1--       0.400                 -0.354                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.344907D+03 -0.464994D+00 -0.416668D+01
      2  -0.464994D+00  0.274780D+03  0.413622D+00
      3  -0.416668D+01  0.413622D+00  0.254898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.408668D+01 -0.106157D+01 -0.545583D+02
      2  -0.359940D+00 -0.162371D+02 -0.182045D+01
      3   0.868113D+02 -0.444923D+01  0.184944D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.518039D+01 -0.982685D+02 -0.864920D+01
      2   0.875174D+01  0.193193D+03 -0.139024D+00
      3  -0.357136D+01 -0.949247D+02  0.878822D+01
      4   0.214759D+02  0.156606D+02 -0.303059D+02
      5  -0.147024D+02 -0.258882D+02 -0.904616D+01
      6  -0.453514D+01 -0.116815D+02  0.752186D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.518124D+01  0.640870D+00  0.106050D+01  0.563520D+00 -0.191817D+01
      2   0.640870D+00 -0.697545D+00  0.836799D-01 -0.191817D+01 -0.655834D+01
      3   0.106050D+01  0.836799D-01  0.137306D+01  0.668204D+00  0.871673D+00
                 6             7             8             9            10 
      1   0.668204D+00  0.474470D+01  0.144839D+01 -0.619073D+00  0.127296D+02
      2   0.871673D+00  0.144839D+01  0.115068D+01 -0.767265D+00  0.384038D+01
      3   0.633225D+00 -0.619073D+00 -0.767265D+00  0.424135D+01 -0.875118D+00
                11            12            13            14            15 
      1   0.384038D+01 -0.875118D+00  0.112557D+02  0.411378D+01 -0.371758D+01
      2   0.559807D+01 -0.200286D+01  0.411378D+01  0.716537D+00 -0.312076D-01
      3  -0.200286D+01  0.145251D+01 -0.371758D+01 -0.312076D-01  0.256805D+01
                16            17            18            19            20 
      1  -0.726476D+01  0.286259D-01  0.339888D+01  0.147446D+02 -0.322743D+01
      2   0.286259D-01 -0.337726D+01  0.155295D+01 -0.322743D+01  0.294475D+01
      3   0.339888D+01  0.155295D+01 -0.207004D+01  0.544231D+01 -0.142693D+01
                21            22            23            24            25 
      1   0.544231D+01 -0.115150D+02  0.356899D+00  0.383438D+01  0.395289D+01
      2  -0.142693D+01  0.356899D+00 -0.101314D+01 -0.629706D-01  0.293148D+01
      3   0.326281D+01  0.383438D+01 -0.629706D-01 -0.108288D+01 -0.253884D+01
                26            27            28            29            30 
      1   0.293148D+01 -0.253884D+01 -0.791722D+01  0.111552D+01 -0.385709D+01
      2  -0.260650D+01 -0.185764D+00  0.111552D+01  0.485930D+00  0.119472D+01
      3  -0.185764D+00  0.399235D+00 -0.385709D+01  0.119472D+01 -0.335466D+01
                31            32            33            34            35 
      1   0.271924D+01 -0.177666D+01  0.620000D+00 -0.581085D+01  0.135899D+01
      2  -0.177666D+01  0.550122D+01 -0.597749D+00  0.135899D+01  0.823647D+00
      3   0.620000D+00 -0.597749D+00 -0.381215D+00 -0.547623D+01 -0.371112D+00
                36            37            38            39            40 
      1  -0.547623D+01 -0.720595D+01  0.496605D+01  0.113860D+01  0.576938D+01
      2  -0.371112D+00  0.496605D+01 -0.952060D+00 -0.228823D+00 -0.109423D+01
      3  -0.197270D+01  0.113860D+01 -0.228823D+00  0.281992D+01 -0.601929D-01
                41            42            43            44            45 
      1  -0.109423D+01 -0.601929D-01  0.125419D+00 -0.283217D-01  0.350832D+01
      2  -0.187887D+01  0.896560D+00 -0.283217D-01  0.764463D+00  0.199656D+01
      3   0.896560D+00  0.187144D+01  0.350832D+01  0.199656D+01  0.638738D+00
                46            47            48            49            50 
      1   0.198481D+01 -0.359753D+01  0.555408D+00 -0.645201D+01 -0.132466D+01
      2  -0.359753D+01 -0.578477D+00  0.363990D+00 -0.132466D+01  0.220076D+01
      3   0.555408D+00  0.363990D+00 -0.367519D+01  0.531129D+00 -0.463536D+00
                51            52            53            54            55 
      1   0.531129D+00  0.243145D+01  0.494408D+00 -0.676946D+01  0.406159D+01
      2  -0.463536D+00  0.494408D+00 -0.419556D+00 -0.330555D+01  0.183573D+01
      3  -0.264274D+01 -0.676946D+01 -0.330555D+01  0.966452D+00  0.226128D+00
                56            57            58            59            60 
      1   0.183573D+01  0.226128D+00 -0.187374D+01 -0.422754D+00  0.190822D+01
      2  -0.272439D+01  0.349828D+00 -0.422754D+00  0.131152D+01 -0.428761D+00
      3   0.349828D+00  0.463336D+01  0.190822D+01 -0.428761D+00 -0.136718D+01
                61            62            63            64            65 
      1   0.507623D+01 -0.202553D+01  0.688038D+01 -0.190199D+01 -0.125875D+01
      2  -0.202553D+01  0.111666D+01  0.902445D+00 -0.125875D+01 -0.396990D-01
      3   0.688038D+01  0.902445D+00  0.689657D+01  0.150302D+01  0.191358D+01
                66            67            68            69            70 
      1   0.150302D+01  0.215286D+01  0.109265D+01 -0.578685D-01 -0.101703D+01
      2   0.191358D+01  0.109265D+01 -0.155416D+01  0.148337D+01 -0.948624D+00
      3   0.469334D+00 -0.578685D-01  0.148337D+01  0.418399D+01  0.195107D+01
                71            72            73            74            75 
      1  -0.948624D+00  0.195107D+01 -0.786978D+01  0.129258D+01  0.246041D-01
      2   0.476014D+01  0.297552D+01  0.129258D+01 -0.185078D+01  0.355705D+01
      3   0.297552D+01  0.871253D+01  0.246041D-01  0.355705D+01  0.231896D+00
                76            77            78            79            80 
      1   0.136499D+01  0.953707D-01 -0.242282D+00  0.323174D+00  0.255920D+01
      2   0.953707D-01  0.134807D+02  0.140802D+01  0.255920D+01  0.103122D+01
      3  -0.242282D+00  0.140802D+01  0.205237D+01 -0.955263D+00  0.808271D+00
                81            82            83            84            85 
      1  -0.955263D+00  0.577229D+00 -0.297624D+01 -0.200649D+01 -0.100915D+01
      2   0.808271D+00 -0.297624D+01 -0.480710D+01 -0.923524D+00 -0.306792D+01
      3  -0.329079D+01 -0.200649D+01 -0.923524D+00  0.165934D+01  0.402387D+00
                86            87            88            89            90 
      1  -0.306792D+01  0.402387D+00 -0.132748D+01 -0.214938D+00  0.235486D+01
      2  -0.934856D+01 -0.145542D+01 -0.214938D+00  0.171074D+01 -0.128116D+01
      3  -0.145542D+01  0.567300D-01  0.235486D+01 -0.128116D+01  0.311903D+00
                91            92            93            94            95 
      1  -0.840960D+00 -0.284651D+01  0.198735D+01 -0.715202D+00  0.284150D+01
      2  -0.284651D+01  0.469589D+01 -0.108558D+01  0.284150D+01 -0.924408D+01
      3   0.198735D+01 -0.108558D+01 -0.163962D+01  0.233936D+00  0.167591D+01
                96            97            98            99           100 
      1   0.233936D+00  0.996430D+00 -0.450371D+00 -0.235416D+01  0.944009D+01
      2   0.167591D+01 -0.450371D+00 -0.158201D+01 -0.131285D+01  0.758386D+00
      3   0.555857D-01 -0.235416D+01 -0.131285D+01 -0.344186D+00 -0.820601D-01
               101           102           103           104           105 
      1   0.758386D+00 -0.820601D-01  0.564025D+00  0.646511D+00 -0.311341D+00
      2   0.223589D+01  0.302635D+01  0.646511D+00  0.130491D+02 -0.139941D+01
      3   0.302635D+01 -0.379748D+00 -0.311341D+00 -0.139941D+01  0.184715D+01
               106           107           108           109           110 
      1   0.364275D+00  0.265736D+01  0.123362D+01 -0.123562D+02  0.455447D+01
      2   0.265736D+01 -0.107086D+01  0.122169D+01  0.455447D+01 -0.657995D+01
      3   0.123362D+01  0.122169D+01  0.336248D+01  0.182333D+00 -0.165777D+01
               111           112           113           114           115 
      1   0.182333D+00  0.107542D+02 -0.498029D+01 -0.261415D+01  0.845766D+01
      2  -0.165777D+01 -0.498029D+01  0.110777D+01  0.279481D+00 -0.335534D+00
      3  -0.538477D+00 -0.261415D+01  0.279481D+00  0.219123D+01 -0.329958D+01
               116           117           118           119           120 
      1  -0.335534D+00 -0.329958D+01 -0.161479D+02 -0.319661D+01 -0.559303D+01
      2   0.347023D+01  0.137431D+01 -0.319661D+01 -0.309109D+01 -0.126973D+01
      3   0.137431D+01  0.157530D+01 -0.559303D+01 -0.126973D+01 -0.375109D+01
               121           122           123           124           125 
      1  -0.968258D+01 -0.128738D+00  0.381178D+01 -0.433880D+01  0.291725D+01
      2  -0.128738D+00 -0.798093D+00 -0.927732D-01  0.291725D+01  0.232965D+01
      3   0.381178D+01 -0.927732D-01 -0.109573D+01  0.196850D+01 -0.337016D+00
               126           127           128           129           130 
      1   0.196850D+01 -0.284235D+01  0.258974D+01  0.865132D+00 -0.917768D+00
      2  -0.337016D+00  0.258974D+01  0.288065D+01  0.581737D+00  0.710108D+00
      3  -0.116258D+01  0.865132D+00  0.581737D+00 -0.424159D+01  0.186568D+01
               131           132           133           134           135 
      1   0.710108D+00  0.186568D+01 -0.574334D+01 -0.201288D+01 -0.661310D+01
      2   0.106722D+01  0.544398D+00 -0.201288D+01 -0.800789D+00  0.945997D+00
      3   0.544398D+00 -0.110939D+01 -0.661310D+01  0.945997D+00 -0.729133D+01
               136           137           138           139           140 
      1   0.949338D+00 -0.109752D+01 -0.135473D+01  0.215903D+01 -0.162618D+01
      2  -0.109752D+01  0.290052D+00  0.172326D+01 -0.162618D+01 -0.155688D+01
      3  -0.135473D+01  0.172326D+01 -0.340169D+00 -0.471729D+00 -0.192716D+01
               141           142           143           144           145 
      1  -0.471729D+00  0.569047D+00 -0.136631D+01 -0.176373D+01  0.535462D+01
      2  -0.192716D+01 -0.136631D+01 -0.468680D+01  0.275249D+01 -0.305764D+01
      3   0.393827D+01 -0.176373D+01  0.275249D+01 -0.887784D+01 -0.928436D+00
               146           147           148           149           150 
      1  -0.305764D+01 -0.928436D+00 -0.726977D+01  0.735046D+01 -0.332982D+00
      2   0.379047D+01 -0.135125D+01  0.735046D+01 -0.605954D+01 -0.649612D+00
      3  -0.135125D+01 -0.105676D+01 -0.332982D+00 -0.649612D+00 -0.158913D+01
               151           152           153           154           155 
      1  -0.240672D+01 -0.239201D+01 -0.203219D+00  0.995616D+00 -0.256595D+01
      2  -0.239201D+01 -0.237576D+00 -0.231286D+01 -0.256595D+01 -0.454597D+00
      3  -0.203219D+00 -0.231286D+01 -0.166209D+01 -0.272720D+01  0.349649D+01
               156           157           158           159           160 
      1  -0.272720D+01 -0.391072D+01 -0.355098D+00  0.440963D+01 -0.290574D+01
      2   0.349649D+01 -0.355098D+00  0.653594D+00 -0.165200D+01  0.417745D+01
      3   0.184144D+01  0.440963D+01 -0.165200D+01  0.511080D+00  0.204210D+01
               161           162           163           164           165 
      1   0.417745D+01  0.204210D+01  0.531933D+01  0.308188D+01  0.707163D+00
      2  -0.160156D+01  0.911697D+00  0.308188D+01  0.148450D+01 -0.295857D+01
      3   0.911697D+00 -0.164550D+01  0.707163D+00 -0.295857D+01 -0.522205D+00
               166           167           168           169           170 
      1   0.534183D+01  0.292918D+01 -0.442720D+01  0.695528D+00 -0.449033D+01
      2   0.292918D+01 -0.380543D+00  0.934529D+00 -0.449033D+01  0.719533D+00
      3  -0.442720D+01  0.934529D+00 -0.173051D+01  0.594676D+00 -0.198046D+01
               171           172           173           174           175 
      1   0.594676D+00  0.422698D+01  0.628730D+00  0.673060D+00  0.400021D+01
      2  -0.198046D+01  0.628730D+00  0.656576D+00  0.245283D+01  0.284542D+01
      3   0.664305D+00  0.673060D+00  0.245283D+01  0.201799D+01  0.309861D+01
               176           177           178           179           180 
      1   0.284542D+01  0.309861D+01 -0.819360D+00  0.213960D+01  0.312934D+01
      2   0.351638D+01 -0.235746D+00  0.213960D+01 -0.921562D+00  0.308600D+01
      3  -0.235746D+00  0.237541D+01  0.312934D+01  0.308600D+01  0.277954D+01
               181           182           183           184           185 
      1  -0.526846D-01 -0.609942D+01  0.122260D+00  0.120967D+01 -0.244396D+00
      2  -0.609942D+01 -0.356297D+00 -0.324413D+01 -0.244396D+00 -0.888718D+01
      3   0.122260D+00 -0.324413D+01 -0.653152D-01 -0.326106D+01  0.333943D+00
               186           187           188           189           190 
      1  -0.326106D+01  0.172775D+00 -0.479751D+01  0.229666D+00  0.902026D+01
      2   0.333943D+00 -0.479751D+01  0.214983D+00 -0.433766D+01 -0.168716D+01
      3  -0.120549D+01  0.229666D+00 -0.433766D+01  0.255253D+00 -0.524239D+00
               191           192           193           194           195 
      1  -0.168716D+01 -0.524239D+00 -0.478361D+01  0.166460D+01  0.254421D-01
      2   0.603316D+00  0.852330D+00  0.166460D+01 -0.110133D+02 -0.283256D+01
      3   0.852330D+00  0.151517D+01  0.254421D-01 -0.283256D+01 -0.303553D+01
               196           197           198           199           200 
      1  -0.350263D+01  0.111518D+01  0.830992D+00 -0.971597D+01 -0.980632D+00
      2   0.111518D+01 -0.189880D+01 -0.343126D+01 -0.980632D+00 -0.847541D+00
      3   0.830992D+00 -0.343126D+01 -0.701616D+01  0.584818D+00  0.708425D+00
               201           202           203           204           205 
      1   0.584818D+00 -0.364142D+01 -0.201401D+01  0.322338D+00  0.373077D+01
      2   0.708425D+00 -0.201401D+01 -0.999585D+01  0.306112D+01  0.976783D+00
      3  -0.176279D+01  0.322338D+00  0.306112D+01 -0.288319D+01 -0.119027D+01
               206           207           208           209           210 
      1   0.976783D+00 -0.119027D+01 -0.203433D+01  0.105501D+01  0.252468D+01
      2   0.222424D+01 -0.320033D+01  0.105501D+01 -0.696414D+00 -0.139455D+01
      3  -0.320033D+01  0.798310D+01  0.252468D+01 -0.139455D+01 -0.415205D+01
               211           212           213           214           215 
      1   0.896217D+00 -0.499196D+00 -0.624897D+00  0.226373D+01 -0.348700D+00
      2  -0.499196D+00  0.680281D+00  0.463873D+00 -0.348700D+00  0.680914D+00
      3  -0.624897D+00  0.463873D+00 -0.867521D-01 -0.242316D+01  0.212560D+00
               216           217           218           219           220 
      1  -0.242316D+01  0.418263D+00 -0.364009D+00 -0.251238D-01 -0.977279D+00
      2   0.212560D+00 -0.364009D+00  0.315756D+00  0.925490D-02  0.949514D+00
      3   0.384556D+01 -0.251238D-01  0.925490D-02 -0.886857D+00 -0.125409D+01
               221           222           223           224           225 
      1   0.949514D+00 -0.125409D+01  0.540093D+00 -0.236985D+00 -0.393727D-01
      2  -0.335605D+01  0.351825D+01 -0.236985D+00  0.223121D+01 -0.268453D+01
      3   0.351825D+01 -0.446059D+01 -0.393727D-01 -0.268453D+01  0.422525D+01
               226           227           228           229           230 
      1  -0.846881D+00 -0.528659D+00 -0.761206D+00 -0.175079D+01 -0.974454D-01
      2  -0.528659D+00 -0.470754D+00  0.210900D+00 -0.974454D-01  0.812363D+00
      3  -0.761206D+00  0.210900D+00 -0.962533D+00  0.351438D-01 -0.688197D+00
               231           232           233           234           235 
      1   0.351438D-01 -0.416993D+01 -0.778571D+00  0.130084D+01  0.896807D-01
      2  -0.688197D+00 -0.778571D+00 -0.122110D+01  0.134334D+01  0.861651D+00
      3  -0.568632D+00  0.130084D+01  0.134334D+01 -0.584979D+01  0.188199D+00
               236           237           238           239           240 
      1   0.861651D+00  0.188199D+00  0.318996D+01  0.212417D+01 -0.774738D+00
      2   0.780213D+00 -0.682624D-01  0.212417D+01  0.896726D+01 -0.130296D+01
      3  -0.682624D-01 -0.351674D+00 -0.774738D+00 -0.130296D+01  0.765608D+00
               241           242           243           244           245 
      1   0.101635D+00 -0.713476D-01  0.170264D+00  0.603119D+01  0.216365D+01
      2  -0.713476D-01  0.485750D-01  0.967677D+00  0.216365D+01  0.125780D+01
      3   0.170264D+00  0.967677D+00 -0.446056D+00 -0.345234D+01 -0.110075D+01
               246           247           248           249           250 
      1  -0.345234D+01  0.266012D+01  0.192416D+01 -0.126116D+01 -0.629880D+01
      2  -0.110075D+01  0.192416D+01  0.120497D+01 -0.139183D+01 -0.194952D+01
      3   0.250391D+01 -0.126116D+01 -0.139183D+01  0.139963D+01  0.517634D+01
               251           252           253           254           255 
      1  -0.194952D+01  0.517634D+01  0.425988D+01  0.202837D+01  0.181825D+01
      2  -0.170762D+01  0.230605D+01  0.202837D+01  0.125239D+01  0.656386D+00
      3   0.230605D+01 -0.491517D+01  0.181825D+01  0.656386D+00  0.149580D+01
               256           257           258           259           260 
      1   0.302173D+01  0.189313D+01  0.790673D+00  0.441373D+01  0.164063D+01
      2   0.189313D+01  0.154832D+01  0.108747D+01  0.164063D+01  0.190166D+01
      3   0.790673D+00  0.108747D+01  0.113019D+01  0.300583D+01  0.174404D+01
               261           262           263           264           265 
      1   0.300583D+01 -0.229825D+01 -0.142535D+01 -0.994467D+00 -0.196348D+01
      2   0.174404D+01 -0.142535D+01 -0.411467D+00 -0.167034D+00 -0.807681D-01
      3   0.292749D+01 -0.994467D+00 -0.167034D+00 -0.114964D+01  0.744338D-02
               266           267           268           269           270 
      1  -0.807681D-01  0.744338D-02 -0.174638D+01 -0.161247D+00 -0.222583D+00
      2  -0.840038D+00 -0.930750D+00 -0.161247D+00 -0.169108D+01 -0.156083D+01
      3  -0.930750D+00 -0.114642D+01 -0.222583D+00 -0.156083D+01 -0.362976D+01
               271           272           273           274           275 
      1   0.133877D+02 -0.432848D+01 -0.165708D+01 -0.427455D+01  0.299639D+01
      2  -0.432848D+01  0.237963D+01  0.365619D+00  0.299639D+01 -0.184816D+01
      3  -0.165708D+01  0.365619D+00  0.708014D+00  0.603997D+00 -0.412616D+00
               276           277           278           279           280 
      1   0.603997D+00 -0.492785D+00  0.305283D+00  0.126053D+01  0.898457D+01
      2  -0.412616D+00  0.305283D+00 -0.179639D+00 -0.784842D+00 -0.144112D+01
      3  -0.580577D+00  0.126053D+01 -0.784842D+00 -0.353973D+00  0.403269D+01
               281           282           283           284           285 
      1  -0.144112D+01  0.403269D+01  0.254175D+00  0.143178D+01 -0.426171D-01
      2   0.722526D+00 -0.873624D+00  0.143178D+01 -0.927287D+00  0.813921D+00
      3  -0.873624D+00  0.307676D+01 -0.426171D-01  0.813921D+00  0.319817D+00
               286           287           288           289           290 
      1   0.776781D+01 -0.197578D+01  0.507601D+01 -0.212675D+00 -0.111858D+01
      2  -0.197578D+01  0.112884D+01 -0.112321D+01 -0.111858D+01 -0.438882D+00
      3   0.507601D+01 -0.112321D+01  0.514760D+01  0.358946D-01  0.144860D+00
               291           292           293           294           295 
      1   0.358946D-01 -0.345525D+01  0.225893D+01 -0.209913D+00  0.475599D+00
      2   0.144860D+00  0.225893D+01 -0.763604D+01  0.995719D+00 -0.349706D+00
      3   0.388690D-01 -0.209913D+00  0.995719D+00 -0.923845D+00  0.853213D+00
               296           297           298           299           300 
      1  -0.349706D+00  0.853213D+00  0.274503D+01  0.337303D+01  0.102138D+01
      2   0.214463D+00 -0.700075D+00  0.337303D+01  0.676214D+01  0.124412D+01
      3  -0.700075D+00  0.523916D+00  0.102138D+01  0.124412D+01  0.638661D+00
               301           302           303           304           305 
      1   0.247370D+01  0.314232D+01  0.794001D+00  0.529182D+00  0.707429D+00
      2   0.314232D+01  0.117634D+02  0.173856D+01  0.707429D+00  0.635557D+00
      3   0.794001D+00  0.173856D+01  0.115696D+01  0.482796D+00  0.185780D+01
               306           307           308           309           310 
      1   0.482796D+00 -0.306383D+01  0.138387D+01  0.153697D+01  0.471720D+00
      2   0.185780D+01  0.138387D+01 -0.138966D+01 -0.104043D+01 -0.723427D+00
      3   0.741316D+00  0.153697D+01 -0.104043D+01 -0.171917D+01 -0.493499D+00
               311           312           313           314           315 
      1  -0.723427D+00 -0.493499D+00  0.169477D+01 -0.100328D+01 -0.155004D+01
      2   0.182554D+01  0.120054D+01 -0.100328D+01  0.222775D+01  0.154165D+01
      3   0.120054D+01  0.848969D+00 -0.155004D+01  0.154165D+01  0.266988D+01
               316           317           318           319           320 
      1   0.298412D+01  0.139080D+01 -0.156655D+01  0.496219D+00  0.635871D+00
      2   0.139080D+01  0.129488D+01 -0.103016D+01  0.635871D+00  0.167318D+01
      3  -0.156655D+01 -0.103016D+01  0.181137D+01 -0.449283D+00 -0.113889D+01
               321           322           323           324           325 
      1  -0.449283D+00 -0.162921D+01 -0.103305D+01  0.154893D+01 -0.252654D+01
      2  -0.113889D+01 -0.103305D+01 -0.210505D+01  0.149445D+01  0.318008D+01
      3   0.765424D+00  0.154893D+01  0.149445D+01 -0.269675D+01 -0.104560D+01
               326           327           328           329           330 
      1   0.318008D+01 -0.104560D+01  0.232120D+01 -0.291989D+01  0.830935D+00
      2  -0.667251D+01  0.136809D+01 -0.291989D+01  0.116996D+02 -0.191574D+01
      3   0.136809D+01 -0.664225D+00  0.830935D+00 -0.191574D+01  0.123240D+01
               331           332           333           334           335 
      1  -0.560740D+00  0.761712D+00 -0.466744D+00  0.256840D+01  0.105355D+01
      2   0.761712D+00 -0.854590D+00  0.188414D+01  0.105355D+01  0.640668D+00
      3  -0.466744D+00  0.188414D+01 -0.815231D+00 -0.264827D+01 -0.127493D+01
               336           337           338           339           340 
      1  -0.264827D+01  0.885770D+00  0.507574D+00 -0.480175D+00 -0.231068D+01
      2  -0.127493D+01  0.507574D+00  0.630076D+00 -0.404122D+00 -0.318031D+00
      3   0.410034D+01 -0.480175D+00 -0.404122D+00 -0.306842D+00  0.239558D+01
               341           342           343           344           345 
      1  -0.318031D+00  0.239558D+01 -0.312246D+00 -0.449129D+00 -0.126854D+00
      2  -0.649385D+00  0.544732D-01 -0.449129D+00 -0.330894D+00 -0.876818D-03
      3   0.544732D-01 -0.352128D+01 -0.126854D+00 -0.876818D-03  0.920605D+00
               346           347           348           349           350 
      1  -0.101178D+01 -0.835371D+00 -0.114604D+01 -0.466388D+00 -0.209244D+00
      2  -0.835371D+00 -0.336059D+01 -0.349082D+01 -0.209244D+00 -0.228506D+01
      3  -0.114604D+01 -0.349082D+01 -0.448885D+01  0.109337D+00 -0.269971D+01
               351           352           353           354           355 
      1   0.109337D+00 -0.548471D+01  0.320064D+01  0.135745D+00  0.632879D+01
      2  -0.269971D+01  0.320064D+01 -0.338763D+01  0.324768D+00 -0.568314D+01
      3  -0.399306D+01  0.135745D+00  0.324768D+00 -0.224100D+00 -0.593268D+00
               356           357           358           359           360 
      1  -0.568314D+01 -0.593268D+00 -0.241492D+01  0.193802D+01 -0.504291D+00
      2   0.817978D+01  0.101505D-01  0.193802D+01 -0.217788D+01  0.124375D+01
      3   0.101505D-01  0.101853D+01 -0.504291D+00  0.124375D+01 -0.615449D+00
               361           362           363           364           365 
      1   0.247734D+01  0.640863D+00  0.731665D+00  0.189956D+01 -0.570548D+00
      2   0.640863D+00  0.622698D+00  0.815641D+00 -0.570548D+00  0.242476D+01
      3   0.731665D+00  0.815641D+00  0.106235D+01 -0.801319D-01  0.143314D+01
               366           367           368           369           370 
      1  -0.801319D-01  0.227866D+01  0.607506D+00 -0.125550D+00 -0.799721D+01
      2   0.143314D+01  0.607506D+00  0.177903D+01  0.243284D+01  0.260208D+01
      3   0.131607D+01 -0.125550D+00  0.243284D+01  0.383200D+01  0.404976D+01
               371           372           373           374           375 
      1   0.260208D+01  0.404976D+01  0.394280D+01 -0.233366D+01 -0.235140D+01
      2  -0.144021D+01 -0.180449D+01 -0.233366D+01  0.203310D+01  0.183508D+01
      3  -0.180449D+01 -0.294698D+01 -0.235140D+01  0.183508D+01  0.172510D+01
               376           377           378           379           380 
      1   0.398098D+01 -0.164889D+01 -0.371736D+01  0.244571D+01 -0.103944D+01
      2  -0.164889D+01  0.117806D+01  0.148565D+01 -0.103944D+01  0.802910D+00
      3  -0.371736D+01  0.148565D+01  0.364488D+01  0.891250D+00 -0.486839D+00
               381           382           383           384           385 
      1   0.891250D+00 -0.196994D+01  0.665059D+00 -0.572890D+00  0.159778D+01
      2  -0.486839D+00  0.665059D+00 -0.187089D+01  0.124153D+01 -0.491331D+00
      3   0.446351D+00 -0.572890D+00  0.124153D+01 -0.183295D+01 -0.311472D+00
               386           387           388           389           390 
      1  -0.491331D+00 -0.311472D+00 -0.111132D+02 -0.379500D+01  0.126743D+01
      2   0.127926D+01 -0.123186D+01 -0.379500D+01 -0.201405D+01  0.592717D+00
      3  -0.123186D+01  0.319376D+01  0.126743D+01  0.592717D+00 -0.811484D+00
               391           392           393           394           395 
      1  -0.638304D+01 -0.355210D+01  0.114301D+01  0.315254D+01  0.151802D+01
      2  -0.355210D+01 -0.261669D+01  0.337162D+00  0.151802D+01  0.597890D+00
      3   0.114301D+01  0.337162D+00 -0.472757D+00 -0.177682D+01 -0.475811D+00
               396           397           398           399           400 
      1  -0.177682D+01 -0.468652D+01  0.135237D+01 -0.188818D+01  0.335457D+01
      2  -0.475811D+00  0.135237D+01 -0.105604D+01  0.820116D+00 -0.249258D+01
      3   0.792824D+00 -0.188818D+01  0.820116D+00 -0.111263D+01  0.198047D+01
               401           402           403           404           405 
      1  -0.249258D+01  0.198047D+01 -0.384513D+01  0.170115D+01 -0.236110D+01
      2   0.247666D+01 -0.144673D+01  0.170115D+01 -0.135733D+01  0.144838D+01
      3  -0.144673D+01  0.190753D+01 -0.236110D+01  0.144838D+01 -0.287494D+01
               406           407           408           409           410 
      1   0.296310D+00 -0.107381D+01  0.113197D+01 -0.406071D+01 -0.226347D+01
      2  -0.107381D+01 -0.106859D+00 -0.167293D-01 -0.226347D+01 -0.519221D+01
      3   0.113197D+01 -0.167293D-01  0.163973D+00 -0.474023D+00  0.688108D+00
               411           412           413           414           415 
      1  -0.474023D+00  0.365916D+01  0.157683D+00 -0.297113D+00 -0.348379D+01
      2   0.688108D+00  0.157683D+00  0.158909D+01 -0.120402D+01 -0.143532D+01
      3  -0.991059D+00 -0.297113D+00 -0.120402D+01  0.544790D+00 -0.232447D+01
               416           417           418           419           420 
      1  -0.143532D+01 -0.232447D+01 -0.243339D+01 -0.217068D+01 -0.161290D+01
      2  -0.110281D+01 -0.144891D+01 -0.217068D+01 -0.258755D+01 -0.190095D+01
      3  -0.144891D+01 -0.193486D+01 -0.161290D+01 -0.190095D+01 -0.188851D+01
               421           422           423 
      1  -0.502434D+01 -0.250412D+01 -0.392357D+01
      2  -0.250412D+01 -0.237648D+01 -0.325657D+01
      3  -0.392357D+01 -0.325657D+01 -0.583135D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.772907D+01  0.152771D+00 -0.359590D+01  0.342131D+01  0.727837D+01
      2   0.322790D+01  0.307265D+01  0.106609D+02  0.101273D+02  0.559617D+01
      3  -0.173675D+02  0.345245D+01  0.287800D+01  0.146557D+02  0.212670D+02
                 6             7             8             9            10 
      1  -0.533197D+01  0.391767D+01  0.783551D+01 -0.135224D+02 -0.343823D+01
      2   0.402571D+01 -0.160071D+02 -0.601199D+01  0.274486D+02 -0.269248D+02
      3  -0.238698D+01  0.479388D+01  0.217640D+01 -0.163948D-01  0.203520D+02
                11            12            13            14            15 
      1   0.161709D+02 -0.159519D+01  0.354293D+02 -0.618618D+01 -0.554327D+01
      2  -0.153764D+02  0.194988D+01 -0.455797D+02 -0.810630D+01  0.194607D+02
      3  -0.128063D+02  0.674118D+01  0.127096D+01  0.128062D+02 -0.135016D+02
                16            17            18            19            20 
      1   0.149110D+01 -0.112337D+02  0.117680D+02 -0.110294D+02  0.134152D+02
      2   0.109940D+02  0.293053D+01 -0.208139D+02 -0.290400D+02  0.157877D+01
      3  -0.920090D+01  0.873224D+01  0.301270D+01  0.180993D+02 -0.127857D+02
                21            22            23            24            25 
      1  -0.118436D+02 -0.817141D+01 -0.137791D+01 -0.286501D+01  0.140144D+02
      2  -0.643731D+01  0.388898D+02 -0.103062D+02 -0.198860D+02 -0.413547D+02
      3   0.101486D+02 -0.228667D+01  0.128829D+01  0.166999D+02  0.148075D+01
                26            27            28            29            30 
      1  -0.612297D+01  0.821203D+00 -0.435911D+00  0.202946D+01 -0.246590D+01
      2  -0.869306D+01  0.862036D+01  0.286937D+00  0.601550D+00 -0.601065D+01
      3   0.161945D+02 -0.982736D+01  0.278084D+01 -0.523997D+01 -0.141564D+00
                31            32            33            34            35 
      1   0.893114D+00  0.104935D+02 -0.607882D+01 -0.930989D+01  0.114913D+01
      2  -0.548425D+01  0.488656D+01 -0.526086D+01 -0.177972D+02 -0.321476D+01
      3   0.142297D+02 -0.288136D+02 -0.560553D+00  0.111102D+01 -0.637274D+01
                36            37            38            39            40 
      1   0.350961D+00 -0.431809D+01  0.644421D+00  0.250795D+01  0.506267D+00
      2   0.516864D+00 -0.227328D+01  0.317186D+01  0.186217D+02  0.291526D+01
      3   0.862172D+01 -0.219674D+02 -0.222650D+01  0.356834D+00  0.102003D+01
                41            42            43            44            45 
      1   0.259836D+01 -0.153095D+01  0.325438D+01  0.318536D+01 -0.220623D+01
      2   0.534197D+01  0.105628D+02  0.194960D+02  0.115451D+02  0.509841D+01
      3   0.147330D+02 -0.576767D+01 -0.216792D+01 -0.480544D+01 -0.129195D+02
                46            47            48            49            50 
      1   0.549288D+01 -0.299516D+00  0.371761D+01 -0.265839D+01 -0.363160D+01
      2   0.573486D+01 -0.109418D+01 -0.190511D+02 -0.538798D+00 -0.404687D+01
      3   0.266288D+02 -0.394261D+01 -0.248852D+01 -0.214570D+01 -0.160297D+02
                51            52            53            54            55 
      1   0.265558D+01  0.777770D+01  0.733455D+01  0.100922D+01  0.262378D+01
      2  -0.126874D+02 -0.407459D+02 -0.172584D+02  0.781305D+00 -0.165224D+02
      3   0.510028D+01  0.192623D+00  0.314157D+01  0.853748D+01  0.247700D+02
                56            57            58            59            60 
      1  -0.117565D+02  0.627229D+01 -0.114662D+02 -0.479352D+01 -0.391788D+01
      2  -0.340024D+01  0.170606D+02  0.224332D+02  0.491237D+01 -0.714163D+01
      3   0.751345D+01 -0.660870D+01  0.120661D+01  0.368039D+01  0.625808D+01
                61            62            63            64            65 
      1  -0.189090D+02  0.105582D+02 -0.107383D+02 -0.606990D+01 -0.875237D+01
      2   0.124946D+02  0.623557D+01  0.731793D+01  0.252790D+02  0.855945D+01
      3   0.473928D+01 -0.770416D+01  0.133752D+02 -0.210278D+02 -0.395208D+00
                66            67            68            69            70 
      1   0.181002D+00  0.272284D+01 -0.149991D+02  0.866030D+01 -0.773983D+01
      2   0.594306D+01 -0.938966D+01  0.747141D+01  0.475982D+01  0.422694D+01
      3  -0.151648D+01  0.757345D+01  0.975158D+01 -0.171498D+02 -0.207440D+01
                71            72            73            74            75 
      1   0.102976D+02 -0.129943D+02  0.319663D+02 -0.159561D+02  0.103440D+02
      2   0.933510D+01  0.162723D+02  0.885905D+01 -0.211788D+01  0.457382D+01
      3  -0.740726D+01  0.346766D+00 -0.363521D+02  0.429067D+01 -0.938050D+01
                76            77            78            79            80 
      1   0.977684D+01  0.464859D+02  0.438544D+01  0.123200D+02  0.583059D+01
      2  -0.836888D+01  0.673291D+01  0.670323D+01 -0.281813D+00  0.684240D+01
      3  -0.398911D+01 -0.381349D+02 -0.721795D+01 -0.121714D+02  0.485843D+01
                81            82            83            84            85 
      1   0.237521D+02  0.422138D+01  0.555455D+00 -0.120819D+02 -0.104466D+02
      2  -0.957762D+01 -0.273950D+01  0.372225D+01  0.565949D+01  0.161725D+01
      3  -0.194448D+02  0.694797D+01 -0.179601D+02 -0.794356D+01  0.135990D+01
                86            87            88            89            90 
      1  -0.159359D+02 -0.646273D+01 -0.147767D+02  0.874624D+01 -0.947638D+01
      2  -0.883514D+00  0.147273D+01  0.166201D+01  0.225522D+01 -0.337989D+01
      3  -0.129274D+01  0.541170D+01 -0.770606D+01 -0.595298D+00  0.137653D+02
                91            92            93            94            95 
      1  -0.350457D+01  0.144014D+01  0.121221D+02 -0.965446D+01  0.150771D+02
      2  -0.180563D+01 -0.416684D+01  0.529041D+01 -0.249236D-02 -0.176972D+01
      3  -0.722418D+01 -0.183905D+02  0.810145D+01  0.135265D+01  0.228310D+01
                96            97            98            99           100 
      1  -0.671206D+01  0.153782D+02  0.889787D+01  0.999626D+01 -0.319653D+02
      2  -0.120925D+01  0.850529D+00 -0.282621D+01 -0.338582D+01  0.184357D+02
      3   0.467978D+01  0.653498D+01 -0.122313D+01 -0.135930D+02  0.395290D+02
               101           102           103           104           105 
      1  -0.133736D+02 -0.972628D+01  0.739013D+01 -0.455275D+02  0.561075D+01
      2   0.418851D+01  0.439480D+01  0.515667D+01  0.883515D+01 -0.604142D+01
      3   0.261780D+01  0.736558D+01 -0.397987D+01  0.380778D+02 -0.716886D+01
               106           107           108           109           110 
      1  -0.128348D+02  0.263628D+01 -0.261121D+02  0.838912D+01  0.149878D+02
      2  -0.321520D+00 -0.734820D+01 -0.629433D+01 -0.289294D+02  0.129523D+02
      3   0.140112D+02  0.619555D+01  0.215604D+02 -0.204570D+02 -0.141826D+02
               111           112           113           114           115 
      1  -0.920561D+00  0.369335D+02  0.292742D+01 -0.459286D+01 -0.483447D+01
      2  -0.295787D+01  0.359247D+02 -0.134175D+02 -0.179639D+02  0.960372D+01
      3  -0.653120D+01 -0.346035D+01 -0.142771D+02 -0.903529D+01  0.463750D+01
               116           117           118           119           120 
      1  -0.107176D+02 -0.124387D+02  0.145888D+02  0.141145D+02  0.103578D+02
      2  -0.199418D+01 -0.202631D+02 -0.330467D+02 -0.598562D+01 -0.653146D+01
      3   0.856174D+01 -0.260115D+01 -0.167519D+02 -0.145072D+02 -0.815980D+01
               121           122           123           124           125 
      1  -0.103762D+02  0.238535D+01 -0.275284D+01 -0.163082D+02 -0.615654D+01
      2  -0.350376D+02 -0.649417D+01  0.237639D+02 -0.377857D+02  0.978041D+01
      3   0.270469D+01  0.189467D+01  0.151397D+02  0.319301D+01  0.158578D+02
               126           127           128           129           130 
      1   0.117635D+01 -0.830987D+01 -0.134058D+02 -0.578602D+01 -0.131867D+02
      2   0.123725D+02 -0.192799D+02  0.537697D+01  0.211434D+02 -0.191470D+02
      3   0.886489D+01 -0.183785D+02  0.925433D+01  0.692337D+01  0.367995D+01
               131           132           133           134           135 
      1   0.405350D+01 -0.453796D+01  0.224173D+02  0.979150D+01  0.114113D+02
      2   0.511734D+01  0.744630D+01  0.870093D+01 -0.729252D+01  0.698203D+01
      3  -0.286729D+01  0.513128D+01 -0.825948D+01 -0.716280D+01 -0.126497D+02
               136           137           138           139           140 
      1   0.559212D+01 -0.804219D+01  0.797960D+00  0.694917D+01  0.174268D+02
      2   0.250044D+02 -0.769247D+01  0.584086D+01  0.106207D+02  0.572112D+01
      3   0.188127D+02 -0.662039D+00  0.117641D+01  0.405232D+01 -0.125817D+02
               141           142           143           144           145 
      1   0.963936D+01  0.918098D+01  0.124301D+02  0.143855D+02  0.460679D+01
      2  -0.948611D+01  0.423244D+01 -0.976404D+01  0.163459D+02  0.609594D+01
      3  -0.169984D+02  0.129252D+01 -0.754873D+01 -0.163009D+01  0.242103D+01
               146           147           148           149           150 
      1   0.519929D+01  0.236534D+01  0.529470D+01  0.651909D+00  0.137286D-01
      2   0.453393D+01  0.929059D+01 -0.100825D+02  0.470087D+01  0.919903D+01
      3   0.316163D+01 -0.112259D+02  0.143157D+02 -0.610460D+01 -0.267032D+01
               151           152           153           154           155 
      1  -0.413792D+01  0.108489D+02  0.681070D+01 -0.447712D+01 -0.286276D+01
      2  -0.702038D+01  0.184018D+02  0.172893D+02  0.101950D+02 -0.139234D+02
      3  -0.123034D+02 -0.646990D+01 -0.119110D+02 -0.160839D+02 -0.666579D+01
               156           157           158           159           160 
      1   0.510438D+01 -0.591535D+01  0.154734D+01 -0.515509D+01  0.784344D+01
      2  -0.270949D+01 -0.196800D+02  0.832059D+01 -0.113565D+02 -0.793234D+01
      3   0.181077D+02 -0.595559D+01  0.483224D+01 -0.369690D+01  0.231839D+02
               161           162           163           164           165 
      1  -0.310128D+00  0.236277D+01  0.928825D+00 -0.130350D+01 -0.169445D+01
      2  -0.127432D+02  0.483803D+01 -0.326838D+01  0.188124D+02  0.514648D+01
      3  -0.371477D+01  0.777789D+01  0.187035D+02  0.609194D+01 -0.179147D+02
               166           167           168           169           170 
      1  -0.183755D+01 -0.128782D+01 -0.316578D+01 -0.375749D+01 -0.245197D+00
      2   0.305648D+02 -0.351417D+01  0.973206D+01 -0.439375D+01  0.106488D+02
      3   0.191746D+02 -0.347271D+01  0.601637D+01 -0.293061D+02  0.370354D+01
               171           172           173           174           175 
      1  -0.988139D+00 -0.207071D+01  0.297328D+01  0.793228D+00  0.213732D+01
      2  -0.263227D+01  0.688970D+01 -0.884243D+01 -0.580339D+01 -0.604948D+01
      3  -0.110914D+02 -0.439850D+00  0.657818D+00  0.975298D+01  0.128890D+02
               176           177           178           179           180 
      1  -0.106190D+02  0.547827D+00  0.574946D+01  0.127585D+02  0.311331D+01
      2   0.133825D+02 -0.753207D+01 -0.212081D+02 -0.145231D+02 -0.486643D+01
      3   0.153850D+02 -0.109975D+02  0.118860D+02 -0.998996D+01  0.118103D+02
               181           182           183           184           185 
      1   0.251163D+01  0.155438D+02  0.244592D+00 -0.259459D+02 -0.131569D+01
      2   0.577482D+02  0.590449D+00  0.257642D+02  0.327977D+01 -0.625020D+01
      3  -0.209483D+01 -0.200465D+02 -0.178330D+01  0.849845D+02 -0.879183D+00
               186           187           188           189           190 
      1  -0.553908D+02 -0.243931D+01  0.233226D+02 -0.991554D+00  0.202739D+01
      2  -0.754740D+00 -0.428591D+02  0.863093D+00 -0.287265D+02  0.177721D+01
      3   0.836501D+01 -0.411416D+01 -0.216619D+02  0.205885D+01 -0.117636D+02
               191           192           193           194           195 
      1  -0.562815D+01 -0.483849D+00 -0.752424D+01  0.778403D+01 -0.795207D+01
      2   0.122818D+00  0.580891D+01  0.106764D+01  0.152436D+01 -0.182479D+01
      3  -0.920189D+01 -0.110592D+01  0.590192D+01  0.567773D+01  0.728743D+01
               196           197           198           199           200 
      1   0.132133D+01  0.111849D+02 -0.400195D+01 -0.407174D+01 -0.652701D+01
      2  -0.782371D+01  0.790964D+00  0.269431D+01  0.313911D+01 -0.480482D+00
      3  -0.442939D+01  0.474031D+01 -0.152608D+01  0.978359D+01 -0.105588D+02
               201           202           203           204           205 
      1   0.592185D-01 -0.876261D+01 -0.638794D+01 -0.570156D+01 -0.424344D+00
      2   0.771744D+01 -0.259253D+01  0.237003D+01  0.280005D+01 -0.629240D+01
      3   0.306419D+01  0.190319D+01 -0.550327D+01  0.827894D+01  0.772196D+01
               206           207           208           209           210 
      1   0.123307D+02  0.272392D+01  0.189341D+01 -0.197308D+01  0.616623D-01
      2  -0.118393D+01  0.244452D+01  0.942920D+01 -0.498357D+01 -0.914817D+01
      3   0.621448D+01  0.436735D+00 -0.904239D+00  0.155617D+00  0.334954D+01
               211           212           213           214           215 
      1  -0.110101D+01  0.142502D+01  0.959043D+00  0.181550D+01  0.232268D+01
      2  -0.664876D+01  0.226387D+01  0.156121D+01 -0.124182D+02  0.668490D+00
      3   0.311224D+01 -0.617384D+00 -0.845086D+00  0.397679D+01  0.906116D+00
               216           217           218           219           220 
      1  -0.241686D+01 -0.912970D+00  0.206193D+01 -0.511820D+00  0.270724D+01
      2   0.950677D+01 -0.315669D+00  0.797734D+00 -0.124882D+01  0.183944D+01
      3  -0.246554D+01  0.121832D+01 -0.201395D+01 -0.396463D+00  0.858613D+00
               221           222           223           224           225 
      1  -0.847480D+01  0.612733D+01 -0.333994D+00  0.758488D+01 -0.502279D+01
      2   0.373703D+01 -0.461950D+01 -0.225418D+01 -0.512949D+01  0.758073D+01
      3   0.526132D+01 -0.624315D+01 -0.570499D+00 -0.510082D+01  0.525744D+01
               226           227           228           229           230 
      1   0.359922D+01 -0.392813D-01  0.237659D+01 -0.881354D+00  0.114179D+01
      2  -0.707694D+01  0.245608D+00 -0.633958D+01 -0.238236D+01 -0.436510D+01
      3  -0.873841D+00  0.321705D+00 -0.276511D+01 -0.235485D+01 -0.282201D+01
               231           232           233           234           235 
      1   0.189335D+01 -0.322130D+01  0.330185D+00  0.140429D+02 -0.217872D+01
      2  -0.243819D+01 -0.237190D+01  0.572462D+01 -0.272582D+02  0.319885D+01
      3   0.311195D+01 -0.509822D+01  0.891775D+00 -0.284679D+01 -0.451179D+01
               236           237           238           239           240 
      1  -0.105817D+01  0.424719D+00  0.380424D+00 -0.740155D+01 -0.304027D+01
      2   0.479887D+00 -0.680199D+00 -0.513664D+00 -0.610207D+01  0.327432D+01
      3  -0.819904D+00  0.118651D+01  0.520048D+01 -0.295262D+02  0.199182D+01
               241           242           243           244           245 
      1   0.146791D+00 -0.138814D+01  0.288865D+00  0.173651D+01 -0.931169D+00
      2  -0.296383D+00  0.355208D+01 -0.268890D+01 -0.116989D+02 -0.396282D+01
      3   0.141213D+01 -0.146188D+01 -0.328595D+01 -0.428977D+01 -0.568075D+01
               246           247           248           249           250 
      1  -0.295758D+01  0.696186D+00  0.211897D+00 -0.143703D+01 -0.544250D+01
      2   0.123839D+02 -0.409170D+01 -0.558188D+01  0.686173D+01  0.189462D+02
      3   0.170719D+01 -0.445294D+01 -0.388748D+01  0.507181D+01  0.453019D+00
               251           252           253           254           255 
      1   0.114778D+01  0.471625D+01 -0.359639D+01 -0.102215D+01 -0.267312D+01
      2   0.105216D+02 -0.224591D+02  0.102785D+02  0.427603D+01  0.101649D+02
      3   0.808810D+01 -0.509289D+01 -0.612134D+01 -0.601832D+01 -0.599993D+00
               256           257           258           259           260 
      1  -0.196267D+01 -0.175834D+01 -0.344732D+01 -0.416423D+01 -0.164051D+01
      2   0.538686D+01  0.655899D+01  0.671253D+01  0.159437D+02  0.934299D+01
      3  -0.334857D+01 -0.579413D+01 -0.489650D+01 -0.915417D+00 -0.997051D+01
               261           262           263           264           265 
      1  -0.544605D+01  0.156471D+01  0.132470D+01 -0.995335D+00  0.651656D+00
      2   0.182793D+02 -0.111308D+02 -0.402359D+01 -0.785729D+01 -0.323168D+01
      3  -0.492050D+01  0.127276D+02  0.567643D+01  0.253920D+01  0.744550D+01
               266           267           268           269           270 
      1  -0.238278D+00 -0.109730D+01  0.888690D-01  0.228651D+01 -0.271623D+01
      2  -0.617573D+01 -0.587534D+01 -0.104570D+02 -0.864056D+01 -0.201463D+02
      3   0.552144D+01  0.539042D+01  0.564817D+01  0.911407D+01  0.918763D+01
               271           272           273           274           275 
      1   0.841984D+00 -0.220133D+01  0.155611D+01 -0.968901D+00  0.761265D+00
      2  -0.104973D+01 -0.485299D+00  0.574406D+01 -0.216361D-01 -0.517726D+00
      3   0.103398D+02 -0.128602D+02 -0.484741D+00 -0.909600D+01  0.722906D+01
               276           277           278           279           280 
      1  -0.139955D+01  0.479004D+00  0.382252D+00 -0.284819D-01  0.267096D+01
      2  -0.390826D+01  0.356291D+01 -0.384124D+01 -0.130837D+01  0.155388D+01
      3   0.125311D+01 -0.722299D+00  0.410622D+00  0.351651D+01 -0.443756D+01
               281           282           283           284           285 
      1   0.313578D+00  0.420014D+01  0.131015D+01 -0.367897D-01  0.574802D+00
      2  -0.770811D+00  0.100141D+02 -0.134934D+01  0.102822D+01  0.196594D+01
      3  -0.375547D+01 -0.153274D+01 -0.579935D+01  0.314248D+01 -0.332243D+01
               286           287           288           289           290 
      1   0.402009D+01  0.245883D+01  0.515652D+01 -0.287812D+01 -0.216721D+01
      2   0.759025D+01 -0.110971D+01  0.146936D+02  0.139682D+01 -0.133261D+00
      3  -0.543048D+00 -0.370408D+01 -0.117773D+01  0.751302D+01  0.536182D+01
               291           292           293           294           295 
      1  -0.392306D+00  0.168812D+01 -0.872910D+01 -0.381930D+01 -0.871506D+00
      2  -0.410716D+00  0.324645D+01 -0.173694D+01 -0.395903D+01 -0.952708D+00
      3   0.156956D+01 -0.394786D+00  0.344219D+02 -0.283401D+01  0.334129D+01
               296           297           298           299           300 
      1  -0.822582D-01 -0.245822D+01 -0.781521D+00  0.492223D+01 -0.323012D+01
      2  -0.299008D+01 -0.133402D+01 -0.281779D+01 -0.150028D+01  0.704481D+00
      3   0.164315D+01  0.411204D+01  0.117374D+02  0.659435D+01  0.408273D+01
               301           302           303           304           305 
      1  -0.208391D+01  0.718512D+01 -0.695524D+01 -0.207252D+01 -0.515800D+01
      2  -0.205673D+01 -0.202601D+00  0.539023D+00 -0.160419D+01  0.427609D+00
      3   0.122064D+02  0.545732D+01  0.387751D+01  0.267332D+01  0.176570D+01
               306           307           308           309           310 
      1  -0.571210D+00 -0.490611D+01  0.172757D+01  0.775032D+01  0.143946D+01
      2   0.109508D+01  0.798130D+01 -0.123903D+01 -0.202670D+01  0.751189D+00
      3   0.958300D+00 -0.171367D+02  0.377765D+01  0.686075D+01  0.273379D+01
               311           312           313           314           315 
      1  -0.414929D+01 -0.215598D+01  0.570123D+01 -0.219288D+00 -0.798582D+01
      2   0.147410D+01  0.543473D+00 -0.576800D+01  0.194212D+01  0.296398D+01
      3  -0.264882D+01 -0.253481D+01  0.865323D+01 -0.491871D+01 -0.781241D+01
               316           317           318           319           320 
      1   0.454291D+01  0.154701D+01 -0.795251D+01  0.132872D+01  0.408926D+01
      2   0.669154D+01  0.125266D+01 -0.152226D+01 -0.583440D+00  0.871287D+00
      3   0.159532D+02  0.405377D+01 -0.681563D+01  0.298762D+01  0.189720D+01
               321           322           323           324           325 
      1  -0.199426D+01 -0.526429D+01 -0.342343D+00  0.799079D+01  0.123388D+01
      2  -0.456390D+00 -0.502374D+01 -0.194132D+01  0.261251D+01 -0.289456D+01
      3  -0.220603D+01 -0.778769D+01 -0.482735D+01  0.746577D+01 -0.113632D+02
               326           327           328           329           330 
      1   0.469429D+01  0.275043D+01 -0.235290D+01 -0.667515D+01 -0.697321D+01
      2   0.104866D+01  0.690551D+00  0.252602D+01 -0.580295D-02 -0.343588D+00
      3   0.658336D+01 -0.393304D+01  0.120501D+02 -0.601069D+01  0.428214D+01
               331           332           333           334           335 
      1   0.181271D+01 -0.504852D+01  0.890792D+00 -0.211720D+01 -0.187318D+01
      2  -0.194332D+01 -0.156083D+00  0.935475D+00  0.116687D+02  0.520103D+01
      3  -0.314275D+01  0.175421D+01 -0.109951D+01  0.134018D+01 -0.177705D+00
               336           337           338           339           340 
      1  -0.550169D+00 -0.105644D+01 -0.111147D+01  0.122245D+01 -0.188055D+01
      2  -0.818321D+01  0.680811D+01  0.210989D+01 -0.936262D+00 -0.124060D+02
      3  -0.318362D+01  0.256926D+01  0.391884D+00 -0.556857D+00 -0.340600D+01
               341           342           343           344           345 
      1   0.215886D+01  0.223769D+01  0.143326D+01  0.158985D+01  0.473753D+00
      2  -0.327337D+00  0.851898D+01 -0.119555D+00 -0.105528D+01 -0.134456D+01
      3   0.102964D+01  0.200822D+01 -0.136003D+01 -0.167596D+01  0.959102D-01
               346           347           348           349           350 
      1   0.209605D+01  0.891719D+01  0.625905D+01  0.709860D+00  0.756773D+01
      2  -0.225980D+01  0.364424D+01  0.449676D+01 -0.241026D+01  0.490809D+01
      3   0.125713D+01 -0.525228D+01 -0.586688D+01  0.303942D+00 -0.502389D+01
               351           352           353           354           355 
      1   0.527345D+01  0.143634D+01 -0.288285D+01  0.268588D+01 -0.219730D+01
      2   0.707801D+01  0.238953D+01 -0.209280D+01  0.281617D+01  0.232169D+01
      3  -0.539968D+01 -0.170572D+01 -0.567175D+01  0.218204D+01 -0.294430D+01
               356           357           358           359           360 
      1   0.454498D+01 -0.495908D+01  0.183388D+01 -0.317630D+01  0.171517D+01
      2  -0.668788D+00 -0.571844D+01  0.203702D+00 -0.533188D+01  0.117707D+01
      3   0.176287D+02 -0.152969D+01 -0.231673D+00 -0.420335D+01  0.443796D+01
               361           362           363           364           365 
      1  -0.412121D+00 -0.128533D+01 -0.279797D+01  0.144169D+01 -0.154282D+01
      2  -0.915692D+01 -0.587224D+01 -0.712821D+01  0.340057D+00 -0.847313D+01
      3   0.117396D+02  0.470682D+01  0.556022D+01  0.444405D+01  0.763855D+01
               366           367           368           369           370 
      1  -0.303378D+01  0.153350D+01 -0.176191D+01 -0.856887D+01  0.532572D+00
      2  -0.655615D+01 -0.772656D+01 -0.126387D+02 -0.179445D+02 -0.720425D+01
      3   0.556451D+01  0.818668D+01  0.886192D+01  0.109488D+02  0.512338D+01
               371           372           373           374           375 
      1  -0.220609D+01  0.174463D+00 -0.615988D+00  0.245391D+01  0.962780D-01
      2   0.526482D+01  0.111274D+02  0.539970D+01 -0.590036D+01 -0.592882D+01
      3  -0.712768D+01 -0.556148D+01 -0.478472D+01  0.926663D+01  0.634912D+01
               376           377           378           379           380 
      1   0.625093D-02  0.246485D+01 -0.976281D+00 -0.322702D+01  0.335740D+01
      2   0.911415D+01 -0.443390D+01 -0.133918D+02 -0.117371D+02  0.608815D+01
      3  -0.507565D+01  0.533615D+01  0.402222D+01 -0.454453D+01  0.558106D+01
               381           382           383           384           385 
      1  -0.201230D+01  0.399993D+01 -0.625354D+01  0.224769D+01 -0.277450D+01
      2  -0.452759D+01  0.105031D+02 -0.956758D+01  0.112280D+02 -0.604401D+01
      3  -0.339553D+01  0.953530D+01 -0.126831D+02  0.613480D+01 -0.440433D+01
               386           387           388           389           390 
      1   0.499804D+01 -0.376136D+01  0.842818D+00 -0.133828D+00 -0.134684D+01
      2   0.827450D+01 -0.152986D+02 -0.871212D+01 -0.426582D+01  0.763336D+01
      3   0.628882D+01 -0.641761D+01 -0.165793D+02 -0.127647D+02  0.291954D+01
               391           392           393           394           395 
      1   0.132203D+01 -0.260380D+00 -0.166440D+01 -0.510528D+00  0.851218D+00
      2  -0.873198D+01 -0.256439D+01  0.443568D+01  0.863206D+01  0.264100D+01
      3  -0.145544D+02 -0.145090D+02  0.108300D+01  0.710072D+01  0.393363D+01
               396           397           398           399           400 
      1   0.112317D+01 -0.126057D+01  0.813258D+00  0.104980D-01  0.898585D+00
      2  -0.581965D+01  0.823931D+01 -0.403998D+01  0.650122D+01 -0.864717D+01
      3  -0.195130D+01  0.624849D+01 -0.735640D+01  0.521716D+01 -0.110078D+02
               401           402           403           404           405 
      1  -0.120962D+01 -0.849748D+00 -0.255924D+00  0.235487D+01  0.727595D-01
      2   0.624689D+01 -0.115344D+02  0.789219D+01 -0.707573D+01  0.152585D+02
      3   0.155324D+02 -0.790668D+01  0.960948D+01 -0.913294D+01  0.793762D+01
               406           407           408           409           410 
      1   0.649958D+01 -0.296356D+01  0.874260D+00 -0.479293D+00  0.899291D+01
      2  -0.452393D+01  0.172914D+01 -0.151939D+01 -0.139217D+01 -0.102357D+02
      3  -0.713641D+01  0.284726D+01 -0.525077D+01  0.563158D+00 -0.227254D+02
               411           412           413           414           415 
      1  -0.630338D+01  0.105979D+01 -0.508663D+01  0.605430D+01 -0.208645D+01
      2   0.578191D+01  0.126422D+01  0.933828D+01 -0.907338D+01  0.470140D+01
      3   0.681324D+01 -0.926298D+01  0.104805D+02 -0.107421D+02 -0.166444D+01
               416           417           418           419           420 
      1  -0.934071D+00 -0.259262D+01  0.296827D+00  0.127737D+01 -0.151257D+01
      2   0.403005D+01  0.623227D+01  0.214356D+01  0.403862D+01  0.609213D+01
      3  -0.461883D+01 -0.337563D+01 -0.423886D+01 -0.884942D+01 -0.548343D+01
               421           422           423 
      1  -0.184206D+01  0.563979D-01 -0.561379D+01
      2   0.564491D+01  0.971626D+01  0.200259D+02
      3  -0.324373D+01 -0.788131D+01 -0.959817D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.387317D+02  0.857828D+01  0.103249D+02  0.174158D+02  0.170855D+02
      2   0.214197D+02 -0.622889D+01 -0.813652D+00 -0.160381D+02 -0.376383D+02
      3   0.173121D+02 -0.234940D+01 -0.951124D+01 -0.137764D+01  0.205528D+02
      4   0.661604D+00 -0.372078D+01  0.122414D+01 -0.716538D+01 -0.444945D+02
      5   0.726733D+01 -0.164150D+01  0.841003D+01  0.666760D+00  0.305534D+01
      6  -0.186329D+01  0.333358D+00  0.422798D+01  0.351134D+01  0.834090D+01
                 6             7             8             9            10 
      1   0.186545D+01  0.118928D+02  0.330863D+01  0.150595D+02  0.270612D+02
      2   0.547672D+01 -0.635497D+01 -0.168599D+01  0.520730D+01 -0.238502D+02
      3  -0.734217D+01 -0.553779D+01 -0.162264D+01 -0.202668D+02 -0.321097D+01
      4   0.590994D+01  0.982461D+01  0.347045D+01  0.387548D+01  0.308969D+02
      5   0.476302D+01  0.323988D+01 -0.403443D+00  0.185687D+02 -0.185263D+01
      6   0.185099D+01 -0.776322D+00 -0.247889D-01  0.102976D+02 -0.477293D+01
                11            12            13            14            15 
      1   0.108927D+02 -0.424138D+01  0.518672D+02  0.820260D+01 -0.114784D+02
      2   0.123784D+02  0.229885D+01 -0.145725D+02 -0.140624D+02  0.425251D+01
      3  -0.232711D+02  0.194253D+01 -0.372947D+02  0.585976D+01  0.722589D+01
      4   0.134582D+02 -0.831951D+01  0.193159D+02  0.153798D+02 -0.135403D+01
      5  -0.559372D+01  0.978067D+01 -0.245010D+01 -0.303062D+01  0.308093D+01
      6   0.610810D+01 -0.145991D+01 -0.940373D+00 -0.227171D+01  0.652607D+01
                16            17            18            19            20 
      1  -0.243901D+02  0.449069D+01  0.776051D+01  0.650416D+02 -0.172553D+02
      2   0.513695D+01 -0.101411D+02 -0.379007D+01 -0.367345D+02  0.176121D+02
      3   0.192531D+02  0.565039D+01 -0.397044D+01 -0.283071D+02 -0.356851D+00
      4  -0.299360D+01 -0.103129D+02  0.100332D+02 -0.284890D+02  0.117941D+02
      5   0.188693D+02  0.744671D+01 -0.100184D+02  0.431330D+02 -0.918375D+01
      6   0.691682D+01  0.255368D+01 -0.382874D+01 -0.102053D+02  0.562346D+01
                21            22            23            24            25 
      1   0.166157D+02 -0.542651D+02  0.403285D+01  0.116024D+02  0.249256D+02
      2  -0.200834D+02  0.177615D+02  0.106416D+02 -0.814575D+01 -0.459382D+01
      3   0.346776D+01  0.365035D+02 -0.146744D+02 -0.345661D+01 -0.203318D+02
      4  -0.849456D+01  0.321087D+01 -0.135458D+02  0.666193D+01  0.161457D+02
      5   0.154160D+02  0.683450D+01  0.831555D+01 -0.814488D+00 -0.669561D+00
      6  -0.594029D+01  0.763684D+01 -0.265282D+01 -0.201846D+01  0.136711D+01
                26            27            28            29            30 
      1   0.956686D+01 -0.485774D+01 -0.437077D+02  0.527238D+01 -0.227480D+02
      2  -0.953981D+01 -0.953364D+00  0.322248D+02 -0.966476D+01  0.172167D+02
      3  -0.270451D-01  0.581111D+01  0.114829D+02  0.439238D+01  0.553129D+01
      4   0.913871D+00 -0.339599D+01  0.959606D+01  0.285170D+01  0.118892D+02
      5  -0.386174D+00  0.289663D+01 -0.442304D+02  0.117318D+02 -0.363025D+02
      6   0.826813D+00  0.104892D+02  0.109372D+02 -0.225366D+01  0.837875D+01
                31            32            33            34            35 
      1   0.191798D+01  0.998982D+01  0.358405D+01 -0.344494D+02  0.142752D+02
      2   0.627662D+01 -0.228894D+02 -0.366824D+00  0.279138D+02 -0.107156D+02
      3  -0.819460D+01  0.128996D+02 -0.321722D+01  0.653568D+01 -0.355962D+01
      4  -0.102131D+02  0.379044D+02 -0.475867D+01  0.176497D+02  0.589663D+01
      5   0.782113D+01 -0.710664D+01 -0.653283D+01 -0.592244D+02 -0.728364D+00
      6  -0.480716D+01  0.750616D+01  0.105066D+01  0.127489D+02 -0.799090D+00
                36            37            38            39            40 
      1  -0.381748D+02 -0.769856D+02  0.500337D+02  0.135052D+02  0.535968D+02
      2   0.279311D+02  0.343372D+02 -0.228328D+02 -0.376055D+01 -0.260428D+02
      3   0.102437D+02  0.426484D+02 -0.272009D+02 -0.974469D+01 -0.275539D+02
      4   0.229367D+00  0.561186D+02 -0.126086D+02 -0.499157D+01 -0.186954D+02
      5  -0.229780D+02  0.149669D+02 -0.550696D+01  0.249613D+02 -0.293119D+01
      6   0.374556D+01 -0.817083D+01  0.226780D+01 -0.470840D+01  0.123352D+01
                41            42            43            44            45 
      1  -0.128322D+02  0.115319D+01  0.590349D+01  0.237712D+01  0.339041D+02
      2   0.827688D+01  0.681483D+00  0.579282D+00  0.172384D+01 -0.166632D+02
      3   0.455527D+01 -0.183468D+01 -0.648277D+01 -0.410096D+01 -0.172410D+02
      4  -0.148465D+02  0.712589D+01 -0.150992D+01  0.640901D+01  0.168600D+02
      5   0.747528D+01  0.165750D+02  0.330545D+02  0.176745D+02  0.508037D+01
      6   0.493678D+00 -0.364680D+01 -0.274225D+01 -0.263625D+01 -0.501936D+01
                46            47            48            49            50 
      1   0.179677D+02 -0.324295D+02 -0.402930D+00 -0.482471D+02 -0.105691D+02
      2  -0.781904D+01  0.185276D+02 -0.602198D+01  0.264021D+02  0.101629D+02
      3  -0.101487D+02  0.139019D+02  0.642491D+01  0.218450D+02  0.406195D+00
      4  -0.351067D+02 -0.117147D+02  0.372571D+01 -0.186379D+02  0.164299D+02
      5   0.691525D+01  0.616840D+01 -0.405506D+02  0.550090D+01 -0.344854D+01
      6   0.636526D+01  0.313150D-02 -0.103632D+02  0.178267D+01 -0.361484D+01
                51            52            53            54            55 
      1   0.999241D+00  0.115726D+02 -0.225585D+00 -0.551035D+02 -0.431488D+01
      2  -0.452885D+01 -0.150909D+02 -0.463680D+01  0.286393D+02 -0.994053D+01
      3   0.352961D+01  0.351828D+01  0.486238D+01  0.264642D+02  0.142554D+02
      4  -0.355903D+01  0.293443D+01 -0.439494D+01 -0.422410D+02  0.155387D+02
      5  -0.257555D+02 -0.717356D+02 -0.362314D+02  0.132598D+02  0.337300D+01
      6  -0.809066D+01 -0.200513D+02 -0.782736D+01  0.424932D+01 -0.415432D+01
                56            57            58            59            60 
      1   0.909300D+01 -0.237189D+02 -0.423549D+01 -0.182404D+01  0.669094D+01
      2  -0.100181D+02 -0.108775D+02 -0.281586D+01  0.939794D+01  0.171733D+01
      3   0.925095D+00  0.345964D+02  0.705135D+01 -0.757389D+01 -0.840827D+01
      4  -0.258715D+01 -0.609986D+00  0.577954D+01  0.369695D+01 -0.247456D+01
      5  -0.167357D+00  0.258861D+02 -0.921020D+00 -0.146248D+01  0.629799D+01
      6   0.280890D+01  0.745968D+01 -0.356784D+00  0.317887D+01 -0.938374D+01
                61            62            63            64            65 
      1   0.308058D+01 -0.164202D+02 -0.371419D+01 -0.987751D+00 -0.596630D+01
      2  -0.230843D+02  0.104213D+02 -0.295367D+02  0.628839D+01 -0.370231D+01
      3   0.200037D+02  0.599898D+01  0.332509D+02 -0.530064D+01  0.966861D+01
      4  -0.130707D+02  0.428377D+01  0.101506D+00 -0.239667D+00  0.101716D+02
      5   0.293969D+02 -0.636792D+00  0.318963D+02  0.541618D+01 -0.312428D+01
      6  -0.548117D+01 -0.548862D+01  0.544628D+00 -0.109239D+01 -0.823769D+00
                66            67            68            69            70 
      1   0.617708D+01 -0.661557D+01  0.791861D+01 -0.277010D+02 -0.170988D+01
      2  -0.783972D+01 -0.870517D+00 -0.194184D+02 -0.443335D+01 -0.526263D+01
      3   0.166264D+01  0.748608D+01  0.114998D+02  0.321343D+02  0.697250D+01
      4  -0.354056D+01  0.432259D+01  0.853730D+00  0.983741D+00 -0.460876D+01
      5   0.378513D+01 -0.514089D+00  0.940807D+00  0.193059D+02  0.268915D+01
      6   0.136342D+02  0.290116D+01  0.628223D+01  0.161193D+02  0.413223D+01
                71            72            73            74            75 
      1  -0.237769D+02 -0.221697D+02 -0.383720D+01 -0.370441D+01 -0.393513D+01
      2   0.129149D+02 -0.166480D+02  0.129808D+02 -0.878314D+01  0.154754D+01
      3   0.108620D+02  0.388177D+02 -0.914365D+01  0.124876D+02  0.238758D+01
      4   0.934983D+01  0.875242D+01 -0.924513D+01 -0.490618D+00  0.167911D+02
      5   0.764531D+01  0.228451D+02  0.577536D+01  0.134007D+02 -0.113872D+01
      6   0.162699D+02  0.208503D+02  0.124571D+02  0.607723D+01  0.371652D+01
                76            77            78            79            80 
      1   0.137927D+02 -0.376955D+02 -0.932676D+01  0.117805D+01  0.515923D+01
      2  -0.657707D+01  0.553559D+02 -0.180696D+01 -0.872735D+00  0.119819D+00
      3  -0.721560D+01 -0.176604D+02  0.111337D+02 -0.305317D+00 -0.527905D+01
      4   0.695224D+01  0.249473D+02  0.447373D+01  0.813899D+01  0.764804D+01
      5   0.139384D+01  0.582748D+01  0.510101D+01 -0.251389D+01  0.181066D+01
      6   0.253289D+01  0.227346D+02  0.112639D+02  0.620272D+01  0.924592D+01
                81            82            83            84            85 
      1  -0.909308D+01  0.900040D+01  0.188368D+02  0.183036D+00  0.134838D+02
      2   0.113822D+02 -0.147628D+02 -0.426243D+02 -0.684803D+01 -0.260679D+02
      3  -0.228912D+01  0.576238D+01  0.237875D+02  0.666499D+01  0.125841D+02
      4  -0.235464D+01 -0.102695D+01 -0.231833D+02 -0.136837D+02 -0.151820D+02
      5   0.572971D+01  0.511562D+00 -0.808526D+01 -0.474614D+01 -0.347556D+01
      6  -0.754805D+00 -0.168883D+02 -0.923018D+01  0.156331D+02 -0.325858D+01
                86            87            88            89            90 
      1   0.324160D+02  0.644219D+01 -0.217927D+01 -0.638387D+01  0.448396D+01
      2  -0.635401D+02 -0.127667D+02 -0.173887D+01  0.703948D+01 -0.491883D+01
      3   0.311241D+02  0.632453D+01  0.391814D+01 -0.655605D+00  0.434875D+00
      4  -0.397556D+02 -0.207664D+01 -0.854308D+01 -0.185952D+01  0.103247D+02
      5  -0.224107D+01 -0.846144D-01 -0.431823D+01  0.195330D+01  0.293708D+01
      6  -0.250529D+02 -0.488363D+01  0.177515D+02 -0.112029D+02  0.249849D+00
                91            92            93            94            95 
      1   0.837951D+01 -0.198288D+02  0.140549D+01 -0.138047D+02  0.346277D+02
      2  -0.132998D+02  0.424334D+02 -0.819953D+01  0.244711D+02 -0.635577D+02
      3   0.492026D+01 -0.226046D+02  0.679404D+01 -0.106664D+02  0.289301D+02
      4  -0.910671D+00 -0.209390D+02  0.134904D+02 -0.130688D+02  0.373362D+02
      5   0.121182D+01  0.794566D+01 -0.525830D+01  0.327160D+01 -0.283167D+01
      6   0.166496D+02 -0.980145D+01 -0.150080D+02 -0.434166D+01  0.264921D+02
                96            97            98            99           100 
      1  -0.742103D+01  0.884898D-01  0.547652D+01  0.412911D+01 -0.102441D+02
      2   0.141618D+02 -0.412174D+01 -0.572691D+01 -0.478687D+01  0.141257D+02
      3  -0.674078D+01  0.403325D+01  0.250389D+00  0.657757D+00 -0.388164D+01
      4  -0.325593D+01  0.788915D+01 -0.319714D+01 -0.103006D+02  0.152008D+02
      5   0.429488D+00 -0.470451D+01 -0.197721D+01  0.350612D+01  0.318645D+01
      6  -0.564010D+01 -0.172040D+02 -0.112826D+02 -0.121656D+00 -0.122339D+02
               101           102           103           104           105 
      1   0.520914D+01 -0.284512D+01 -0.970773D+01 -0.396359D+02  0.940976D+01
      2   0.793842D+01  0.255953D+01  0.529355D+01  0.547267D+02  0.936096D+00
      3  -0.131476D+02  0.285586D+00  0.441417D+01 -0.150909D+02 -0.103459D+02
      4  -0.293202D+01 -0.156810D+02  0.440602D+01 -0.199767D+02  0.441520D+01
      5  -0.122307D+02  0.275885D+00 -0.152870D+00  0.515571D+01 -0.339613D+01
      6   0.462819D+01 -0.393421D+01  0.102991D+01 -0.231794D+02  0.101621D+02
               106           107           108           109           110 
      1  -0.163273D+01 -0.334907D+01 -0.989816D+01  0.200904D+02 -0.120895D+02
      2   0.408659D+00 -0.936911D+00  0.877513D+01 -0.148499D+02 -0.142576D+02
      3   0.122407D+01  0.428598D+01  0.112304D+01 -0.524047D+01  0.263470D+02
      4  -0.723751D+01  0.686766D+01  0.209074D+01 -0.361857D+02  0.187670D+02
      5  -0.118976D+01 -0.174925D+01  0.457449D+01  0.461901D+01  0.484740D+01
      6  -0.619037D+01  0.973701D+01 -0.105790D+01  0.754717D+01  0.715259D+01
               111           112           113           114           115 
      1  -0.261632D+01 -0.475020D+02  0.128277D+02  0.730379D+01 -0.338711D+02
      2  -0.307133D+00  0.686581D+01 -0.143155D+02 -0.814531D+00  0.482999D+01
      3   0.292345D+01  0.406362D+02  0.148784D+01 -0.648926D+01  0.290411D+02
      4   0.818821D+01  0.253156D+02 -0.190063D+02 -0.232516D+01  0.108060D+02
      5   0.465684D+01 -0.244399D+01 -0.301118D+01 -0.576567D+00  0.148289D+02
      6   0.212021D+01 -0.143640D+01  0.252253D+01  0.633805D+01 -0.255257D+01
               116           117           118           119           120 
      1  -0.268712D+01  0.532129D+01  0.691602D+02  0.154523D+02  0.133213D+02
      2   0.110557D+02  0.910487D+00 -0.400512D+02 -0.148333D+02 -0.188743D+02
      3  -0.836863D+01 -0.623178D+01 -0.291090D+02 -0.618964D+00  0.555300D+01
      4  -0.140156D+02 -0.109364D+02  0.266679D+02  0.132466D+02  0.622346D+01
      5  -0.679237D+01 -0.552561D+01  0.371691D+02  0.657725D+01  0.188873D+02
      6   0.448117D+01  0.137675D+01  0.637277D+01  0.675940D+01  0.655965D+01
               121           122           123           124           125 
      1   0.425215D+02  0.570456D+01 -0.117281D+02  0.263828D+02 -0.108818D+02
      2  -0.744042D+01  0.746487D+01  0.682957D+01 -0.451699D+01  0.894709D+01
      3  -0.350811D+02 -0.131694D+02  0.489856D+01 -0.218658D+02  0.193468D+01
      4   0.302051D+01  0.139978D+02  0.621858D+01 -0.183133D+02  0.445844D+01
      5  -0.910578D+01  0.675881D+01  0.348908D+00  0.385850D+01  0.269277D+01
      6   0.824249D+01  0.788810D+00 -0.897891D+00 -0.287630D+01  0.367589D+00
               126           127           128           129           130 
      1  -0.486452D+01 -0.347422D+01 -0.115784D+02 -0.275413D+02  0.195692D+01
      2  -0.265497D+01 -0.498298D+01  0.115775D+02 -0.104217D+02  0.483470D+01
      3   0.751949D+01  0.845720D+01  0.864773D-03  0.379629D+02 -0.679162D+01
      4   0.607862D+01 -0.220970D+02 -0.124191D+01 -0.216940D+00  0.440382D+01
      5   0.621840D+01  0.143197D+01 -0.636277D+00  0.203781D+02  0.167826D+01
      6  -0.618424D+01  0.275103D+01  0.173218D+01 -0.812601D+01  0.190608D+00
               131           132           133           134           135 
      1  -0.230105D+01 -0.508817D+01  0.863456D+01  0.167559D+02 -0.588983D+01
      2   0.912384D+01 -0.196369D+01 -0.277613D+02 -0.102561D+02 -0.308755D+02
      3  -0.682279D+01  0.705186D+01  0.191268D+02 -0.649982D+01  0.367653D+02
      4  -0.227953D+01 -0.147214D+01  0.116738D+02  0.289854D+01 -0.133038D+01
      5  -0.932194D+00 -0.767320D+01  0.287015D+02 -0.273997D+00  0.353764D+02
      6  -0.395613D+01 -0.943148D+01  0.459121D+01 -0.490941D+01 -0.186931D+01
               136           137           138           139           140 
      1  -0.228290D+01  0.564621D+01  0.839635D+01  0.467100D+01  0.104092D+02
      2   0.625034D+01  0.146626D+01 -0.771940D+01 -0.107749D+01 -0.197648D+02
      3  -0.396744D+01 -0.711247D+01 -0.676951D+00 -0.359352D+01  0.935553D+01
      4   0.204000D+01  0.102876D+02  0.380632D+01  0.838037D+01 -0.273083D+01
      5   0.518638D+01  0.289749D+01  0.265619D+01 -0.571639D+00  0.113509D+01
      6   0.825506D+00 -0.150442D+01 -0.112882D+02  0.366650D+01 -0.508696D+01
               141           142           143           144           145 
      1   0.286033D+02 -0.122710D+01  0.241938D+02 -0.220437D+02 -0.215497D+02
      2   0.657263D+01 -0.542202D+01 -0.128990D+02 -0.152108D+02  0.526816D+00
      3  -0.351759D+02  0.664912D+01 -0.112948D+02  0.372545D+02  0.210229D+02
      4   0.140095D+00  0.673596D+01  0.765970D+01 -0.655790D+01  0.252232D+02
      5  -0.158592D+02 -0.204009D+00 -0.644843D+01  0.208769D+02  0.169649D+01
      6   0.171907D+02 -0.328251D+01  0.159348D+02 -0.196852D+02 -0.484199D+00
               146           147           148           149           150 
      1   0.483411D+01  0.110160D+02  0.123428D+02 -0.198911D+02  0.685453D+01
      2   0.172125D+02 -0.607793D+01  0.196041D+02 -0.132910D+02 -0.423184D+01
      3  -0.220466D+02 -0.493806D+01 -0.319469D+02  0.331821D+02 -0.262268D+01
      4  -0.323284D+02  0.627286D+01 -0.581207D+02  0.494707D+02 -0.133520D+00
      5   0.106505D+02  0.394879D+01  0.114946D+02 -0.184045D+01  0.389465D+01
      6  -0.621339D+01 -0.780734D+01  0.225652D+00  0.646787D+00 -0.704537D+01
               151           152           153           154           155 
      1   0.152708D+02  0.192687D+02  0.154945D+02 -0.510274D+01  0.222312D+02
      2  -0.134801D+02 -0.219251D+01 -0.761078D+01  0.458509D+01 -0.204900D+02
      3  -0.179062D+01 -0.170762D+02 -0.788367D+01  0.517645D+00 -0.174115D+01
      4   0.170968D+02 -0.107468D+02  0.711899D+01  0.288625D+02 -0.257905D+01
      5   0.228909D+01  0.918192D+01  0.439133D+01  0.307596D+02 -0.338676D+02
      6  -0.366913D+01 -0.889170D+01 -0.947482D+01 -0.107595D+02  0.308379D+01
               156           157           158           159           160 
      1   0.201002D+02  0.285615D+02  0.579270D+01 -0.406944D+02  0.163698D+02
      2  -0.101190D+02 -0.239513D+02  0.216212D+01  0.185369D+02 -0.742252D+01
      3  -0.998125D+01 -0.461022D+01 -0.795482D+01  0.221575D+02 -0.894728D+01
      4  -0.334366D+02 -0.319951D+01 -0.212376D+01  0.184605D+02 -0.405080D+02
      5  -0.223870D+02 -0.465849D+02  0.156272D+02 -0.238864D+00 -0.224745D+02
      6   0.920799D+01  0.660919D+01 -0.130527D+01 -0.551016D+01  0.110221D+02
               161           162           163           164           165 
      1  -0.363362D+02 -0.143269D+02 -0.558250D+02 -0.325038D+02 -0.502668D+01
      2   0.146286D+02  0.110417D+02  0.237976D+02  0.153980D+02  0.474909D+01
      3   0.217076D+02  0.328515D+01  0.320274D+02  0.171057D+02  0.277591D+00
      4   0.166339D+02 -0.153844D+01 -0.366901D+02 -0.204934D+02  0.312842D+02
      5  -0.164246D+01  0.190501D+02 -0.431572D+01  0.307492D+02  0.197718D+01
      6  -0.422094D+01 -0.119077D+01  0.777808D+01  0.655494D+00  0.280650D+01
               166           167           168           169           170 
      1  -0.506458D+02 -0.313880D+02  0.437465D+02 -0.230353D+01  0.433300D+02
      2   0.230728D+02  0.155252D+02 -0.217646D+02  0.229071D+01 -0.232714D+02
      3   0.275730D+02  0.158628D+02 -0.219818D+02  0.128237D-01 -0.200586D+02
      4  -0.379250D+02  0.345900D+01 -0.104050D+02  0.480407D+02 -0.763811D+01
      5   0.470783D+02 -0.106408D+02  0.213273D+02 -0.111629D+02  0.200153D+02
      6  -0.305261D+01  0.456227D+01 -0.300129D+01  0.393740D+01 -0.313033D+01
               171           172           173           174           175 
      1  -0.663422D+01 -0.203251D+02  0.415065D+01  0.344125D+01 -0.175952D+01
      2   0.314002D+01  0.134341D+02  0.990339D+00 -0.186602D+01 -0.294332D+01
      3   0.349420D+01  0.689106D+01 -0.514099D+01 -0.157523D+01  0.470283D+01
      4   0.191378D+02 -0.163604D+01 -0.657367D+01 -0.200602D+02 -0.223545D+02
      5  -0.738743D+01 -0.903953D+01 -0.204916D+02 -0.220549D+02 -0.272267D+02
      6   0.480036D+01 -0.601086D+01 -0.679932D+01 -0.712936D+01 -0.869053D+01
               176           177           178           179           180 
      1  -0.457443D+01 -0.214630D+02  0.133278D+02 -0.164703D+02 -0.932846D+01
      2  -0.438972D+01  0.176291D+02  0.230052D+01  0.194497D+02  0.817925D+01
      3   0.896415D+01  0.383388D+01 -0.156283D+02 -0.297935D+01  0.114921D+01
      4  -0.257781D+02 -0.133606D+01 -0.210289D+02  0.284678D+01 -0.282399D+02
      5  -0.117445D+01 -0.187315D+02 -0.316134D+02 -0.298455D+02 -0.321089D+02
      6  -0.278721D+01 -0.724039D+01 -0.151446D+02 -0.101244D+02 -0.144774D+02
               181           182           183           184           185 
      1  -0.642643D+02  0.102192D+01 -0.140356D+02  0.210818D+01  0.139446D+02
      2   0.455977D+02 -0.438917D+00  0.314927D+02 -0.304594D+00 -0.185729D+02
      3   0.186666D+02 -0.583006D+00 -0.174571D+02 -0.180359D+01  0.462825D+01
      4   0.145502D+01 -0.163481D+02  0.399942D+00 -0.129605D+02 -0.174680D+01
      5  -0.362953D+02  0.348649D+00 -0.385501D+02 -0.545501D+00 -0.693798D+01
      6  -0.273875D-01 -0.687416D+00 -0.805462D+00 -0.934712D+01  0.875313D-01
               186           187           188           189           190 
      1   0.495696D-01 -0.240920D+02  0.464027D+00  0.177912D+02  0.305439D+02
      2  -0.100189D+01  0.385265D+02  0.383595D-01  0.217201D+02 -0.121376D+02
      3   0.952323D+00 -0.144345D+02 -0.502386D+00 -0.395113D+02 -0.184063D+02
      4  -0.420448D+01  0.187285D+01 -0.124898D+02 -0.435027D+00 -0.245032D+02
      5  -0.145250D+01 -0.248642D+02  0.496896D+00 -0.338081D+02 -0.138991D+02
      6  -0.215812D+02 -0.400990D+00 -0.915923D+01 -0.193971D+00  0.113834D+02
               191           192           193           194           195 
      1  -0.847675D+00 -0.117669D+01 -0.203737D+01 -0.501336D+02 -0.183584D+02
      2  -0.597500D+01  0.256071D+01 -0.100782D+02  0.800108D+02  0.162174D+02
      3   0.682267D+01 -0.138402D+01  0.121155D+02 -0.298773D+02  0.214100D+01
      4   0.274138D+02  0.115136D+02  0.266909D+02 -0.295825D+02 -0.111585D+02
      5   0.111581D+02  0.205553D+02  0.362985D+01 -0.124008D+02 -0.711634D+01
      6  -0.524715D+01 -0.841993D+01 -0.900012D+01  0.351854D+02  0.330634D+02
               196           197           198           199           200 
      1   0.384425D+00 -0.196662D+02 -0.263530D+02  0.335824D+02 -0.619282D+00
      2   0.493355D+01  0.901488D+01 -0.279278D+01 -0.166939D+02  0.727002D+01
      3  -0.531798D+01  0.106513D+02  0.291457D+02 -0.168884D+02 -0.665073D+01
      4   0.821994D+01 -0.695596D+01 -0.135468D+02  0.222853D+02  0.247655D+02
      5   0.212195D+02 -0.131710D+02 -0.190679D+02 -0.169831D+02 -0.101995D+02
      6  -0.131495D+02  0.352076D+02  0.372540D+02 -0.105032D+02 -0.603902D+01
               201           202           203           204           205 
      1  -0.123558D+01 -0.218968D+01 -0.425189D+02  0.189518D+02  0.142408D+01
      2   0.441930D+01  0.113773D+02  0.652864D+02 -0.156652D+02  0.638976D+01
      3  -0.318372D+01 -0.918765D+01 -0.227674D+02 -0.328666D+01 -0.781384D+01
      4  -0.109528D+02  0.262150D+02  0.300184D+02 -0.135724D+02 -0.801957D+01
      5   0.245019D+02 -0.424779D+01 -0.146808D+02  0.874322D+01  0.249848D+02
      6   0.895221D+01 -0.111855D+02 -0.360734D+02  0.333725D+02  0.141506D+02
               206           207           208           209           210 
      1   0.212791D+02 -0.279886D+02 -0.780683D+01  0.639099D+01  0.186765D+02
      2  -0.967614D+01 -0.912409D+01 -0.779677D+01  0.125249D+01  0.100924D+02
      3  -0.116030D+02  0.371127D+02  0.156036D+02 -0.764348D+01 -0.287689D+02
      4  -0.848719D+01  0.144036D+02 -0.356501D+01  0.169055D+01  0.316109D+01
      5   0.138340D+02 -0.253101D+02 -0.105280D+02  0.306662D+01  0.111669D+02
      6   0.333245D+02 -0.386318D+02  0.833779D+01 -0.708537D+01 -0.138660D+02
               211           212           213           214           215 
      1   0.282329D+01 -0.345617D+01 -0.774212D+00  0.979373D+01 -0.221387D+01
      2  -0.107945D+01  0.448639D+00  0.272388D+01  0.486357D+01 -0.861730D+00
      3  -0.174385D+01  0.300754D+01 -0.194967D+01 -0.146573D+02  0.307560D+01
      4   0.122790D+01 -0.198403D+01 -0.127737D+01  0.145772D+01 -0.189432D+01
      5   0.263469D+01 -0.252077D+01 -0.338249D+01  0.825306D+01 -0.261998D+01
      6  -0.404876D+01  0.441833D+01  0.493728D+01 -0.519378D+01  0.453453D+01
               216           217           218           219           220 
      1  -0.165832D+02  0.327560D+00 -0.181596D+01  0.465418D+01  0.180875D+01
      2  -0.111503D+02 -0.104791D+00 -0.102523D+01  0.358810D+01  0.286233D+01
      3   0.277334D+02 -0.222769D+00  0.284119D+01 -0.824228D+01 -0.467109D+01
      4  -0.265181D+01 -0.211531D+01  0.178742D+01 -0.165605D+01  0.518518D+01
      5  -0.117036D+02  0.902368D+00 -0.257096D+01  0.138609D+01 -0.810619D+01
      6   0.760358D+01 -0.273916D+01  0.110265D+01  0.896448D+00  0.624816D+01
               221           222           223           224           225 
      1  -0.156831D+02  0.187827D+02  0.247238D+00  0.122006D+02 -0.207090D+02
      2   0.273950D+00  0.561506D+01 -0.578301D+00  0.239443D+01 -0.624947D+01
      3   0.154092D+02 -0.243977D+02  0.331063D+00 -0.145950D+02  0.269585D+02
      4  -0.105135D+02  0.108009D+02 -0.252536D+01  0.425490D+01 -0.602534D+01
      5   0.123089D+02 -0.166922D+02  0.282353D+01 -0.733329D+01  0.106202D+02
      6  -0.224798D+02  0.253623D+02 -0.226088D+01  0.156648D+02 -0.208888D+02
               226           227           228           229           230 
      1  -0.301969D+00  0.645956D+00 -0.720655D+01 -0.111807D+02 -0.561348D+01
      2  -0.228862D+01 -0.828821D+00  0.152191D+01  0.809370D+01  0.583233D+01
      3   0.259059D+01  0.182865D+00  0.568464D+01  0.308698D+01 -0.218850D+00
      4  -0.351230D+01 -0.124798D+01 -0.347761D+00 -0.760197D+00  0.470945D+01
      5  -0.231004D+01  0.180070D+01 -0.913416D+00  0.123134D+01 -0.324498D+01
      6  -0.110338D+00  0.112822D+01 -0.317229D+01 -0.482155D+00 -0.286844D+01
               231           232           233           234           235 
      1   0.125957D+01 -0.200827D+02  0.457404D+00 -0.137784D+02  0.489281D+00
      2  -0.500525D+01  0.106826D+02  0.177254D-01 -0.112591D+02  0.611811D+01
      3   0.374568D+01  0.940006D+01 -0.475129D+00  0.250376D+02 -0.660739D+01
      4  -0.414929D+01 -0.106404D+02 -0.649371D+01  0.384661D+01  0.855939D+01
      5  -0.325578D+01  0.115578D+02  0.593558D+01 -0.290761D+02 -0.154569D+00
      6   0.182292D+01  0.214372D+01  0.662771D+01 -0.158857D+02  0.272873D+00
               236           237           238           239           240 
      1   0.448883D+01  0.937662D+00  0.940247D+01 -0.247776D+02  0.828652D+00
      2   0.624006D+00 -0.976769D+00  0.565836D+01  0.533306D+02 -0.479130D+01
      3  -0.511284D+01  0.391070D-01 -0.150608D+02 -0.285530D+02  0.396265D+01
      4   0.128391D+02 -0.469085D+00  0.236369D+02  0.591994D+02 -0.877416D+01
      5  -0.749528D+00 -0.475570D+00 -0.617850D+01 -0.512719D+01  0.473929D+01
      6  -0.127021D+01 -0.397383D+00 -0.459332D+01 -0.125638D+02  0.687011D+01
               241           242           243           244           245 
      1   0.122402D+01  0.210804D+00 -0.535984D+01  0.559907D+02  0.191579D+02
      2  -0.617058D+00  0.177987D+01  0.385206D+01 -0.329089D+02 -0.986687D+01
      3  -0.606963D+00 -0.199068D+01  0.150778D+01 -0.230817D+02 -0.929105D+01
      4   0.163408D+00  0.538027D+00  0.562805D+01  0.314486D+02  0.179352D+02
      5   0.167135D+01  0.607322D+01 -0.218847D+01 -0.435006D+02 -0.132517D+02
      6   0.144819D+01  0.773664D+01 -0.236833D+01 -0.100695D+02 -0.486702D+01
               246           247           248           249           250 
      1  -0.288404D+02  0.193068D+02  0.111446D+02 -0.643465D+01 -0.467658D+02
      2   0.194023D+02 -0.824903D+01 -0.493974D+01  0.295793D+01  0.335373D+02
      3   0.943812D+01 -0.110578D+02 -0.620490D+01  0.347672D+01  0.132285D+02
      4  -0.153958D+02  0.248081D+02  0.154675D+02 -0.160552D+02 -0.275070D+02
      5   0.330415D+02 -0.151323D+02 -0.154169D+02  0.152677D+02  0.589363D+02
      6   0.760030D+01 -0.795888D+01 -0.687799D+01  0.913418D+01  0.149791D+02
               251           252           253           254           255 
      1  -0.113403D+02  0.317801D+02  0.447773D+02  0.182467D+02  0.179591D+02
      2   0.770415D+01 -0.284093D+02 -0.202049D+02 -0.711144D+01 -0.801151D+01
      3   0.363610D+01 -0.337081D+01 -0.245724D+02 -0.111352D+02 -0.994756D+01
      4  -0.205608D+02  0.276365D+02  0.276922D+02  0.174898D+02  0.967560D+01
      5   0.243552D+02 -0.545149D+02  0.205070D+02  0.696072D+01  0.185891D+02
      6   0.102859D+02 -0.150808D+02  0.495135D+01  0.208059D+01  0.458363D+01
               256           257           258           259           260 
      1   0.233196D+02  0.124841D+02  0.472343D+01  0.417387D+02  0.127362D+02
      2  -0.776824D+01 -0.139620D+01  0.928557D+00 -0.185173D+02 -0.279666D+01
      3  -0.155514D+02 -0.110879D+02 -0.565198D+01 -0.232214D+02 -0.993957D+01
      4   0.249585D+02  0.188070D+02  0.130674D+02  0.249933D+02  0.227755D+02
      5   0.780846D+01  0.117348D+02  0.115878D+02  0.337564D+02  0.188269D+02
      6   0.400692D+01  0.516893D+01  0.599268D+01  0.100314D+02  0.641102D+01
               261           262           263           264           265 
      1   0.245021D+02 -0.168178D+02 -0.116692D+02 -0.964591D+01 -0.158275D+02
      2  -0.120213D+02  0.899069D+01  0.490235D+01  0.306009D+01  0.825935D+01
      3  -0.124808D+02  0.782709D+01  0.676684D+01  0.658583D+01  0.756818D+01
      4   0.221818D+02 -0.801263D+01 -0.256540D+01 -0.184149D+00  0.425734D+01
      5   0.313639D+02 -0.573656D+01 -0.445525D+00 -0.912888D+01  0.231639D+01
      6   0.909160D+01  0.420473D+01  0.865538D+00  0.288523D+01  0.150748D+01
               266           267           268           269           270 
      1  -0.395681D+01 -0.215565D+01 -0.155841D+02 -0.711993D+01 -0.148810D+02
      2   0.224380D+01  0.138105D+01  0.680216D+01  0.178327D+01 -0.190123D+01
      3   0.171301D+01  0.774601D+00  0.878194D+01  0.533666D+01  0.167822D+02
      4  -0.580599D+01 -0.715091D+01  0.771045D+00 -0.131216D+02 -0.114009D+02
      5  -0.707436D+01 -0.955162D+01  0.903195D+00 -0.124576D+02 -0.286699D+02
      6   0.444102D+01  0.677743D+01  0.701511D+00  0.748901D+01  0.105049D+02
               271           272           273           274           275 
      1   0.143483D+03 -0.428926D+02 -0.156746D+02 -0.405791D+02  0.261987D+02
      2  -0.694102D+02  0.185040D+02  0.868246D+01  0.151355D+02 -0.850798D+01
      3  -0.740733D+02  0.243886D+02  0.699212D+01  0.254437D+02 -0.176907D+02
      4  -0.586277D+02  0.320059D+02  0.599011D+01  0.386197D+02 -0.234295D+02
      5  -0.230533D+02  0.638027D+01  0.121754D+02  0.781485D+01 -0.485660D+01
      6   0.742083D+01 -0.397565D+01 -0.275394D+01 -0.460760D+01  0.288008D+01
               276           277           278           279           280 
      1   0.437538D+01 -0.442707D+01  0.116041D+01  0.113100D+02  0.683502D+02
      2  -0.220479D+01  0.324227D+01 -0.149112D+01 -0.650613D+01 -0.441676D+02
      3  -0.217059D+01  0.118481D+01  0.330703D+00 -0.480387D+01 -0.241827D+02
      4  -0.454449D+01  0.290555D+01 -0.173492D+01 -0.865575D+01 -0.187464D+02
      5  -0.664133D+01  0.169961D+02 -0.878180D+01 -0.450682D+01  0.527501D+02
      6   0.291587D+01 -0.387755D+01  0.298734D+01  0.194059D+01 -0.982707D+01
               281           282           283           284           285 
      1  -0.828730D+01  0.285133D+02  0.620950D+01  0.475693D+01  0.927076D-02
      2   0.494425D+01 -0.210954D+02 -0.670084D+01 -0.988594D+00 -0.278070D+01
      3   0.334306D+01 -0.741794D+01  0.491335D+00 -0.376834D+01  0.277143D+01
      4   0.100436D+02 -0.108957D+02  0.127256D+02 -0.774923D+01  0.784299D+01
      5  -0.102502D+02  0.393593D+02  0.403274D-01  0.900032D+01  0.273519D+01
      6   0.429600D+01 -0.825035D+01  0.438299D+01 -0.230808D+01  0.428216D+01
               286           287           288           289           290 
      1   0.469875D+02 -0.109466D+02  0.251534D+02 -0.210209D+01 -0.916421D+01
      2  -0.362246D+02  0.721790D+01 -0.281520D+02  0.296738D+01  0.630496D+01
      3  -0.107629D+02  0.372869D+01  0.299865D+01 -0.865294D+00  0.285925D+01
      4  -0.220502D+02  0.104725D+02 -0.127410D+02 -0.643779D+01  0.111557D+01
      5   0.583158D+02 -0.127677D+02  0.534227D+02  0.298632D+01 -0.308027D-02
      6  -0.136846D+02  0.716683D+01 -0.116992D+02  0.114819D+00 -0.268108D+01
               291           292           293           294           295 
      1   0.296838D+01 -0.151125D+02 -0.152359D+02  0.206027D+01  0.981360D+00
      2  -0.187967D+01 -0.149068D+00  0.357132D+02 -0.323219D+01 -0.238217D+01
      3  -0.108871D+01  0.152616D+02 -0.204773D+02  0.117191D+01  0.140081D+01
      4   0.307689D+00  0.210731D+02 -0.548000D+02  0.728087D+01 -0.248715D+01
      5   0.330740D+01 -0.406521D+01  0.968273D+01 -0.758107D+01  0.105965D+02
      6  -0.774477D-01  0.385236D+01 -0.122722D+02  0.666876D+01 -0.208073D+01
               296           297           298           299           300 
      1  -0.111064D+00  0.304148D+01 -0.533114D+01 -0.232722D+02 -0.467992D+01
      2   0.158684D+01 -0.776885D+00  0.182621D+02  0.486912D+02  0.726385D+01
      3  -0.147577D+01 -0.226460D+01 -0.129309D+02 -0.254190D+02 -0.258393D+01
      4  -0.117334D+01 -0.531531D+01  0.225869D+02  0.346400D+02  0.789654D+01
      5  -0.552543D+01  0.282267D+01  0.490880D+01  0.541460D+01  0.486294D+01
      6   0.512490D+01 -0.242269D+01  0.964421D+01  0.162450D+02  0.631201D+01
               301           302           303           304           305 
      1  -0.119896D+02 -0.483995D+02 -0.855844D+01 -0.135566D+01 -0.365484D+01
      2   0.251674D+02  0.911159D+02  0.139695D+02  0.194164D+01  0.270666D+01
      3  -0.131778D+02 -0.427164D+02 -0.541110D+01 -0.585973D+00  0.948171D+00
      4   0.205889D+02  0.397893D+02  0.653486D+01  0.377180D+01  0.451088D+01
      5   0.322641D+01  0.547191D+01  0.223551D+01  0.425137D+01  0.383257D+01
      6   0.795004D+01  0.266115D+02  0.122521D+02  0.399097D+01  0.168546D+02
               306           307           308           309           310 
      1  -0.726742D+01 -0.439215D+00  0.771033D+01  0.486934D+01  0.315593D+01
      2   0.978655D+01  0.260439D+01 -0.845114D+01 -0.347752D+01 -0.363097D+01
      3  -0.251913D+01 -0.216517D+01  0.740811D+00 -0.139182D+01  0.475038D+00
      4   0.533899D+01 -0.149307D+02  0.113328D+02  0.954295D+01  0.656372D+01
      5   0.289509D+01 -0.766474D+01  0.492377D+01  0.585233D+01  0.162440D+01
      6   0.667693D+01  0.135957D+02 -0.107390D+02 -0.154896D+02 -0.484998D+01
               311           312           313           314           315 
      1  -0.807948D+01 -0.584258D+01  0.471010D+01 -0.111921D+02 -0.103752D+02
      2   0.121751D+02  0.834328D+01 -0.183453D+01  0.112594D+02  0.324724D+01
      3  -0.409561D+01 -0.250069D+01 -0.287557D+01 -0.672648D-01  0.712795D+01
      4  -0.489938D+01 -0.312149D+01  0.932497D+01 -0.477341D+01 -0.857955D+01
      5  -0.242024D+01 -0.206156D+01  0.597603D+01 -0.348299D+01 -0.586014D+01
      6   0.121128D+02  0.939837D+01 -0.123440D+02  0.161164D+02  0.211609D+02
               316           317           318           319           320 
      1  -0.233788D+00 -0.684012D+01  0.480034D+01 -0.247112D+01 -0.748893D+01
      2   0.212023D+01  0.731685D+01 -0.285255D+01  0.298163D+01  0.110810D+02
      3  -0.188645D+01 -0.476724D+00 -0.194779D+01 -0.510512D+00 -0.359207D+01
      4   0.150533D+02  0.110085D+02 -0.100084D+02  0.606628D+01  0.465257D+01
      5  -0.822441D+01 -0.525760D+01  0.661956D+01 -0.161465D+01 -0.247864D+01
      6  -0.137793D+02 -0.106362D+02  0.159974D+02 -0.455222D+01 -0.113574D+02
               321           322           323           324           325 
      1   0.545313D+01  0.474318D+01  0.104039D+02 -0.997522D+01 -0.539361D+01
      2  -0.795361D+01 -0.174223D+01 -0.101917D+02  0.240618D+01  0.170339D+02
      3   0.250048D+01 -0.300095D+01 -0.212205D+00  0.756904D+01 -0.116403D+02
      4  -0.304929D+01 -0.928365D+01 -0.505827D+01  0.886446D+01 -0.208683D+02
      5   0.198296D+01  0.642922D+01  0.384729D+01 -0.670184D+01  0.496045D+01
      6   0.884951D+01  0.123407D+02  0.155942D+02 -0.210755D+02 -0.977118D+01
               326           327           328           329           330 
      1   0.240801D+02 -0.518291D+01  0.115501D+02 -0.497001D+02  0.934825D+01
      2  -0.481791D+02  0.789051D+01 -0.233488D+02  0.909693D+02 -0.150523D+02
      3   0.240990D+02 -0.270760D+01  0.117986D+02 -0.412692D+02  0.570407D+01
      4   0.329946D+02 -0.818211D+01  0.191171D+02 -0.369958D+02  0.674065D+01
      5  -0.569213D+01  0.488037D+01 -0.342971D+01  0.553619D+01 -0.225068D+01
      6   0.171123D+02 -0.675340D+01  0.806094D+01 -0.283649D+02  0.129205D+02
               331           332           333           334           335 
      1  -0.172833D+01  0.484902D+01 -0.769893D+01 -0.745945D+01 -0.574605D+01
      2   0.245366D+01 -0.419326D+01  0.996792D+01 -0.802207D+01 -0.991842D+00
      3  -0.725329D+00 -0.655763D+00 -0.226899D+01  0.154815D+02  0.673789D+01
      4  -0.390763D+01  0.513579D+01 -0.514808D+01  0.400187D+01  0.206588D+01
      5   0.416459D+01 -0.376082D+01  0.291695D+01 -0.124292D+02 -0.325468D+01
      6  -0.395329D+01  0.173044D+02 -0.747884D+01 -0.811996D+01 -0.649223D+01
               336           337           338           339           340 
      1   0.172907D+02 -0.223196D+01 -0.263871D+01  0.686060D-02  0.911318D+01
      2   0.103940D+02  0.122870D+01  0.155080D+00 -0.306916D+01  0.542962D+01
      3  -0.276846D+02  0.100326D+01  0.248363D+01  0.306230D+01 -0.145428D+02
      4  -0.337854D+01  0.178890D+01  0.195358D+01 -0.139161D+01 -0.187817D+01
      5   0.126416D+02 -0.220816D+01 -0.272474D+01  0.281782D+01  0.899347D+01
      6   0.127395D+02 -0.392360D+01 -0.382045D+01  0.420615D+01  0.488563D+01
               341           342           343           344           345 
      1   0.134946D+01 -0.145835D+02 -0.696543D+00  0.196714D+01  0.489675D+01
      2   0.780555D+00 -0.104801D+02  0.487077D-01  0.118388D+01  0.345410D+01
      3  -0.213001D+01  0.250636D+02  0.647835D+00 -0.315102D+01 -0.835085D+01
      4  -0.185307D+01  0.276812D+01  0.249435D+01  0.183508D+01  0.203943D+01
      5   0.263750D+01 -0.124432D+02  0.132160D+01  0.314010D+01  0.190120D+01
      6   0.404953D+01 -0.594671D+01  0.345587D+01  0.102142D+01 -0.987087D+00
               346           347           348           349           350 
      1  -0.113429D+01 -0.163519D+02 -0.195696D+02  0.210086D+00 -0.124627D+02
      2  -0.299725D+01  0.589863D+00 -0.538512D+01 -0.296074D+00 -0.185712D+01
      3   0.413154D+01  0.157620D+02  0.249547D+02  0.859878D-01  0.143199D+02
      4   0.446346D+01  0.987979D+01  0.999868D+01  0.283268D+01  0.366929D+01
      5   0.757104D+01  0.112446D+02  0.157950D+02  0.256179D+01  0.695548D+01
      6   0.546848D+01  0.225356D+02  0.253828D+02  0.236318D+01  0.159425D+02
               351           352           353           354           355 
      1  -0.206591D+02  0.288345D+02 -0.135696D+02 -0.782517D+00 -0.186371D+02
      2  -0.530337D+01 -0.195999D+00 -0.822754D+01  0.168420D+01 -0.142282D+02
      3   0.259625D+02 -0.286385D+02  0.217971D+02 -0.901685D+00  0.328653D+02
      4   0.567812D+01 -0.384284D+02  0.364378D+02 -0.307040D+01  0.541848D+02
      5   0.882177D+01  0.485379D+00 -0.442718D+01  0.483024D+01  0.118165D+01
      6   0.207844D+02 -0.216669D+01  0.807283D+00 -0.934980D+00 -0.884844D+00
               356           357           358           359           360 
      1   0.511107D+01  0.299896D+01  0.907758D+01 -0.361385D+01 -0.291157D+01
      2   0.341863D+02 -0.330356D+01  0.194520D+01 -0.858523D+01  0.384321D+01
      3  -0.392974D+02  0.304607D+00 -0.110228D+02  0.121991D+02 -0.931640D+00
      4  -0.676205D+02  0.868838D+00 -0.183237D+02  0.193490D+02 -0.878065D+01
      5   0.422176D+01 -0.730297D+01  0.604378D+01 -0.947066D+01  0.497331D+01
      6  -0.107110D+01  0.628477D+01 -0.388868D+01  0.891351D+01 -0.280871D+01
               361           362           363           364           365 
      1  -0.137344D+02 -0.749389D+01 -0.831244D+01 -0.684561D+01 -0.703334D+01
      2   0.878063D+01  0.376684D+01  0.430801D+01  0.953265D+00  0.964016D+01
      3   0.495372D+01  0.372705D+01  0.400444D+01  0.589235D+01 -0.260682D+01
      4   0.179004D+01  0.248437D+01 -0.114395D+01  0.101448D+02 -0.122668D+02
      5  -0.417811D+00 -0.273547D+01 -0.187951D+01  0.597412D+00 -0.522753D+01
      6   0.277850D+01  0.428845D+01  0.543288D+01  0.896369D+00  0.862538D+01
               366           367           368           369           370 
      1  -0.740336D+01 -0.140428D+02 -0.140612D+02 -0.165421D+02  0.705259D+02
      2   0.576039D+01  0.919961D+01  0.670949D+01  0.252518D+01 -0.412640D+02
      3   0.164297D+01  0.484322D+01  0.735167D+01  0.140169D+02 -0.292619D+02
      4  -0.553312D+01  0.687229D+00 -0.613627D+01 -0.891399D+01 -0.365806D+02
      5  -0.512863D+01  0.485764D+01 -0.102164D+02 -0.171646D+02 -0.522851D+02
      6   0.900989D+01  0.361939D+00  0.134309D+02  0.186459D+02  0.121516D+02
               371           372           373           374           375 
      1  -0.208845D+02 -0.314543D+02 -0.281446D+02  0.131590D+02  0.144058D+02
      2   0.115646D+02  0.219897D+02  0.150058D+02 -0.551661D+01 -0.912694D+01
      3   0.931990D+01  0.946461D+01  0.131388D+02 -0.764235D+01 -0.527882D+01
      4   0.204080D+02  0.218122D+02  0.296576D+02 -0.240837D+02 -0.204619D+02
      5   0.207247D+02  0.375018D+02  0.278350D+02 -0.198217D+02 -0.199104D+02
      6  -0.639994D+01 -0.809844D+01 -0.108908D+02  0.907814D+01  0.102700D+02
               376           377           378           379           380 
      1  -0.279668D+02  0.100844D+02  0.215193D+02 -0.174393D+02  0.577673D+01
      2   0.225125D+02 -0.765282D+01 -0.206534D+02  0.756876D+01  0.267944D+00
      3   0.545432D+01 -0.243158D+01 -0.865877D+00  0.987051D+01 -0.604468D+01
      4   0.209867D+02 -0.136280D+02 -0.183651D+02  0.572339D+01 -0.420424D+01
      5   0.433122D+02 -0.169145D+02 -0.405680D+02 -0.446590D+01  0.287614D+01
      6  -0.106525D+02  0.815266D+01  0.104538D+02 -0.260699D+01  0.735873D+00
               381           382           383           384           385 
      1  -0.798331D+01  0.158664D+02 -0.885753D+01  0.102603D+02 -0.119178D+02
      2   0.111881D+01 -0.771666D+01  0.184567D+01  0.124102D+00  0.551788D+01
      3   0.686449D+01 -0.814971D+01  0.701187D+01 -0.103844D+02  0.639990D+01
      4   0.391297D+01 -0.218425D+01  0.140508D+02 -0.101402D+02  0.401019D+01
      5  -0.986929D+00  0.262473D+01 -0.892175D+01  0.157827D+02  0.649813D+01
      6  -0.831609D+00  0.107183D+01 -0.647227D+01  0.525720D+01 -0.212648D+01
               386           387           388           389           390 
      1   0.823625D+01 -0.795123D+01  0.123573D+03  0.392508D+02 -0.127986D+02
      2   0.457447D+00 -0.754955D+01 -0.587592D+02 -0.169467D+02  0.643069D+01
      3  -0.869370D+01  0.155008D+02 -0.648138D+02 -0.223041D+02  0.636792D+01
      4  -0.860805D+01  0.794406D+01  0.482529D+02  0.273875D+02 -0.796174D+01
      5   0.794824D+01 -0.237296D+02 -0.147492D+02 -0.720859D+01  0.126892D+02
      6   0.566949D+01 -0.451266D+01 -0.479025D+01 -0.157446D+01  0.157241D+01
               391           392           393           394           395 
      1   0.633717D+02  0.327986D+02 -0.100218D+02 -0.318352D+02 -0.137656D+02
      2  -0.266094D+02 -0.114664D+02  0.447235D+01  0.156720D+02  0.658175D+01
      3  -0.367622D+02 -0.213322D+02  0.554946D+01  0.161631D+02  0.718382D+01
      4   0.453909D+02  0.317338D+02 -0.440056D+01 -0.171694D+02 -0.753008D+01
      5  -0.119283D+02 -0.391337D+01  0.627874D+01  0.227277D+02  0.665746D+01
      6  -0.303899D+01 -0.273897D+01  0.298492D+01  0.421423D+01  0.362371D+01
               396           397           398           399           400 
      1   0.161149D+02  0.500438D+02 -0.123957D+02  0.180087D+02 -0.334133D+02
      2  -0.869955D+01 -0.261207D+02  0.617134D+01 -0.105629D+02  0.160973D+02
      3  -0.741531D+01 -0.239231D+02  0.622436D+01 -0.744577D+01  0.173160D+02
      4   0.683471D+01 -0.167493D+02  0.145434D+02 -0.105261D+02  0.312067D+02
      5  -0.100443D+02  0.234154D+02 -0.107831D+02  0.151772D+02 -0.241669D+02
      6  -0.236803D+01 -0.486697D+01  0.251285D+01 -0.280182D+01  0.636284D+01
               401           402           403           404           405 
      1   0.204378D+02 -0.173796D+02  0.358541D+02 -0.145414D+02  0.182555D+02
      2  -0.841763D+01  0.891347D+01 -0.221669D+02  0.927977D+01 -0.143323D+02
      3  -0.120202D+02  0.846613D+01 -0.136872D+02  0.526159D+01 -0.392323D+01
      4  -0.288516D+02  0.167736D+02 -0.198201D+02  0.153442D+02 -0.168958D+02
      5   0.169372D+02 -0.224158D+02  0.304245D+02 -0.169459D+02  0.330358D+02
      6  -0.656552D+01  0.634681D+01 -0.610642D+01  0.575086D+01 -0.634990D+01
               406           407           408           409           410 
      1  -0.176820D+01  0.456188D+01 -0.458042D+01  0.191201D+02 -0.499596D+01
      2   0.304983D+01 -0.272298D+01  0.310033D+01 -0.389502D+01  0.212608D+02
      3  -0.128163D+01 -0.183891D+01  0.148009D+01 -0.152251D+02 -0.162648D+02
      4   0.462601D+01  0.406638D+01 -0.108565D+01  0.209521D+02  0.382325D+02
      5  -0.497473D+01  0.372768D+00  0.191206D+01  0.517715D+01 -0.342342D+01
      6  -0.356698D+01 -0.124901D+01  0.103015D+01  0.270597D+01  0.108299D+00
               411           412           413           414           415 
      1   0.592523D+01 -0.244432D+02  0.379381D+01 -0.152193D+01  0.238105D+02
      2  -0.635526D+01  0.943862D+01 -0.950328D+01  0.321730D+01 -0.166848D+02
      3   0.430033D+00  0.150046D+02  0.570947D+01 -0.169538D+01 -0.712575D+01
      4  -0.382036D+01 -0.372036D+01 -0.141413D+02  0.922773D+01  0.174643D+02
      5   0.796348D+01  0.406932D+01  0.978954D+01 -0.419781D+01  0.280864D+02
      6   0.538524D+01  0.172763D+01  0.418935D+01 -0.141753D+01  0.958536D+01
               416           417           418           419           420 
      1   0.670449D+01  0.130486D+02  0.871655D+01  0.340265D+01  0.342897D+01
      2  -0.378863D+01 -0.936198D+01 -0.287001D+01  0.504947D-01 -0.189921D+01
      3  -0.291586D+01 -0.368663D+01 -0.584654D+01 -0.345314D+01 -0.152976D+01
      4   0.136712D+02  0.155588D+02  0.207437D+02  0.224320D+02  0.174908D+02
      5   0.156362D+02  0.252997D+02  0.169474D+02  0.184823D+02  0.173526D+02
      6   0.614006D+01  0.765799D+01  0.100042D+02  0.113532D+02  0.130194D+02
               421           422           423 
      1   0.236659D+02  0.551679D+01  0.568522D+01
      2  -0.196886D+02 -0.707759D+01 -0.166943D+02
      3  -0.397737D+01  0.156080D+01  0.110091D+02
      4   0.262133D+02  0.214183D+02  0.293948D+02
      5   0.423304D+02  0.304880D+02  0.553273D+02
      6   0.172159D+02  0.169083D+02  0.224867D+02
 Leave Link  716 at Thu Jul 29 23:52:59 2021, MaxMem= 16106127360 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.344907D+03 -0.464994D+00 -0.416668D+01
      2  -0.464994D+00  0.274780D+03  0.413622D+00
      3  -0.416668D+01  0.413622D+00  0.254898D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.408668D+01 -0.106157D+01 -0.545583D+02
      2  -0.359940D+00 -0.162371D+02 -0.182045D+01
      3   0.868113D+02 -0.444923D+01  0.184944D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.518039D+01 -0.982685D+02 -0.864920D+01
      2   0.875174D+01  0.193193D+03 -0.139024D+00
      3  -0.357136D+01 -0.949247D+02  0.878822D+01
      4   0.214759D+02  0.156606D+02 -0.303059D+02
      5  -0.147024D+02 -0.258882D+02 -0.904616D+01
      6  -0.453514D+01 -0.116815D+02  0.752186D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.518124D+01  0.640870D+00  0.106050D+01  0.563520D+00 -0.191817D+01
      2   0.640870D+00 -0.697545D+00  0.836799D-01 -0.191817D+01 -0.655834D+01
      3   0.106050D+01  0.836799D-01  0.137306D+01  0.668204D+00  0.871673D+00
                 6             7             8             9            10 
      1   0.668204D+00  0.474470D+01  0.144839D+01 -0.619073D+00  0.127296D+02
      2   0.871673D+00  0.144839D+01  0.115068D+01 -0.767265D+00  0.384038D+01
      3   0.633225D+00 -0.619073D+00 -0.767265D+00  0.424135D+01 -0.875118D+00
                11            12            13            14            15 
      1   0.384038D+01 -0.875118D+00  0.112557D+02  0.411378D+01 -0.371758D+01
      2   0.559807D+01 -0.200286D+01  0.411378D+01  0.716537D+00 -0.312076D-01
      3  -0.200286D+01  0.145251D+01 -0.371758D+01 -0.312076D-01  0.256805D+01
                16            17            18            19            20 
      1  -0.726476D+01  0.286259D-01  0.339888D+01  0.147446D+02 -0.322743D+01
      2   0.286259D-01 -0.337726D+01  0.155295D+01 -0.322743D+01  0.294475D+01
      3   0.339888D+01  0.155295D+01 -0.207004D+01  0.544231D+01 -0.142693D+01
                21            22            23            24            25 
      1   0.544231D+01 -0.115150D+02  0.356899D+00  0.383438D+01  0.395289D+01
      2  -0.142693D+01  0.356899D+00 -0.101314D+01 -0.629706D-01  0.293148D+01
      3   0.326281D+01  0.383438D+01 -0.629706D-01 -0.108288D+01 -0.253884D+01
                26            27            28            29            30 
      1   0.293148D+01 -0.253884D+01 -0.791722D+01  0.111552D+01 -0.385709D+01
      2  -0.260650D+01 -0.185764D+00  0.111552D+01  0.485930D+00  0.119472D+01
      3  -0.185764D+00  0.399235D+00 -0.385709D+01  0.119472D+01 -0.335466D+01
                31            32            33            34            35 
      1   0.271924D+01 -0.177666D+01  0.620000D+00 -0.581085D+01  0.135899D+01
      2  -0.177666D+01  0.550122D+01 -0.597749D+00  0.135899D+01  0.823647D+00
      3   0.620000D+00 -0.597749D+00 -0.381215D+00 -0.547623D+01 -0.371112D+00
                36            37            38            39            40 
      1  -0.547623D+01 -0.720595D+01  0.496605D+01  0.113860D+01  0.576938D+01
      2  -0.371112D+00  0.496605D+01 -0.952060D+00 -0.228823D+00 -0.109423D+01
      3  -0.197270D+01  0.113860D+01 -0.228823D+00  0.281992D+01 -0.601929D-01
                41            42            43            44            45 
      1  -0.109423D+01 -0.601929D-01  0.125419D+00 -0.283217D-01  0.350832D+01
      2  -0.187887D+01  0.896560D+00 -0.283217D-01  0.764463D+00  0.199656D+01
      3   0.896560D+00  0.187144D+01  0.350832D+01  0.199656D+01  0.638738D+00
                46            47            48            49            50 
      1   0.198481D+01 -0.359753D+01  0.555408D+00 -0.645201D+01 -0.132466D+01
      2  -0.359753D+01 -0.578477D+00  0.363990D+00 -0.132466D+01  0.220076D+01
      3   0.555408D+00  0.363990D+00 -0.367519D+01  0.531129D+00 -0.463536D+00
                51            52            53            54            55 
      1   0.531129D+00  0.243145D+01  0.494408D+00 -0.676946D+01  0.406159D+01
      2  -0.463536D+00  0.494408D+00 -0.419556D+00 -0.330555D+01  0.183573D+01
      3  -0.264274D+01 -0.676946D+01 -0.330555D+01  0.966452D+00  0.226128D+00
                56            57            58            59            60 
      1   0.183573D+01  0.226128D+00 -0.187374D+01 -0.422754D+00  0.190822D+01
      2  -0.272439D+01  0.349828D+00 -0.422754D+00  0.131152D+01 -0.428761D+00
      3   0.349828D+00  0.463336D+01  0.190822D+01 -0.428761D+00 -0.136718D+01
                61            62            63            64            65 
      1   0.507623D+01 -0.202553D+01  0.688038D+01 -0.190199D+01 -0.125875D+01
      2  -0.202553D+01  0.111666D+01  0.902445D+00 -0.125875D+01 -0.396990D-01
      3   0.688038D+01  0.902445D+00  0.689657D+01  0.150302D+01  0.191358D+01
                66            67            68            69            70 
      1   0.150302D+01  0.215286D+01  0.109265D+01 -0.578685D-01 -0.101703D+01
      2   0.191358D+01  0.109265D+01 -0.155416D+01  0.148337D+01 -0.948624D+00
      3   0.469334D+00 -0.578685D-01  0.148337D+01  0.418399D+01  0.195107D+01
                71            72            73            74            75 
      1  -0.948624D+00  0.195107D+01 -0.786978D+01  0.129258D+01  0.246041D-01
      2   0.476014D+01  0.297552D+01  0.129258D+01 -0.185078D+01  0.355705D+01
      3   0.297552D+01  0.871253D+01  0.246041D-01  0.355705D+01  0.231896D+00
                76            77            78            79            80 
      1   0.136499D+01  0.953707D-01 -0.242282D+00  0.323174D+00  0.255920D+01
      2   0.953707D-01  0.134807D+02  0.140802D+01  0.255920D+01  0.103122D+01
      3  -0.242282D+00  0.140802D+01  0.205237D+01 -0.955263D+00  0.808271D+00
                81            82            83            84            85 
      1  -0.955263D+00  0.577229D+00 -0.297624D+01 -0.200649D+01 -0.100915D+01
      2   0.808271D+00 -0.297624D+01 -0.480710D+01 -0.923524D+00 -0.306792D+01
      3  -0.329079D+01 -0.200649D+01 -0.923524D+00  0.165934D+01  0.402387D+00
                86            87            88            89            90 
      1  -0.306792D+01  0.402387D+00 -0.132748D+01 -0.214938D+00  0.235486D+01
      2  -0.934856D+01 -0.145542D+01 -0.214938D+00  0.171074D+01 -0.128116D+01
      3  -0.145542D+01  0.567300D-01  0.235486D+01 -0.128116D+01  0.311903D+00
                91            92            93            94            95 
      1  -0.840960D+00 -0.284651D+01  0.198735D+01 -0.715202D+00  0.284150D+01
      2  -0.284651D+01  0.469589D+01 -0.108558D+01  0.284150D+01 -0.924408D+01
      3   0.198735D+01 -0.108558D+01 -0.163962D+01  0.233936D+00  0.167591D+01
                96            97            98            99           100 
      1   0.233936D+00  0.996430D+00 -0.450371D+00 -0.235416D+01  0.944009D+01
      2   0.167591D+01 -0.450371D+00 -0.158201D+01 -0.131285D+01  0.758386D+00
      3   0.555857D-01 -0.235416D+01 -0.131285D+01 -0.344186D+00 -0.820601D-01
               101           102           103           104           105 
      1   0.758386D+00 -0.820601D-01  0.564025D+00  0.646511D+00 -0.311341D+00
      2   0.223589D+01  0.302635D+01  0.646511D+00  0.130491D+02 -0.139941D+01
      3   0.302635D+01 -0.379748D+00 -0.311341D+00 -0.139941D+01  0.184715D+01
               106           107           108           109           110 
      1   0.364275D+00  0.265736D+01  0.123362D+01 -0.123562D+02  0.455447D+01
      2   0.265736D+01 -0.107086D+01  0.122169D+01  0.455447D+01 -0.657995D+01
      3   0.123362D+01  0.122169D+01  0.336248D+01  0.182333D+00 -0.165777D+01
               111           112           113           114           115 
      1   0.182333D+00  0.107542D+02 -0.498029D+01 -0.261415D+01  0.845766D+01
      2  -0.165777D+01 -0.498029D+01  0.110777D+01  0.279481D+00 -0.335534D+00
      3  -0.538477D+00 -0.261415D+01  0.279481D+00  0.219123D+01 -0.329958D+01
               116           117           118           119           120 
      1  -0.335534D+00 -0.329958D+01 -0.161479D+02 -0.319661D+01 -0.559303D+01
      2   0.347023D+01  0.137431D+01 -0.319661D+01 -0.309109D+01 -0.126973D+01
      3   0.137431D+01  0.157530D+01 -0.559303D+01 -0.126973D+01 -0.375109D+01
               121           122           123           124           125 
      1  -0.968258D+01 -0.128738D+00  0.381178D+01 -0.433880D+01  0.291725D+01
      2  -0.128738D+00 -0.798093D+00 -0.927732D-01  0.291725D+01  0.232965D+01
      3   0.381178D+01 -0.927732D-01 -0.109573D+01  0.196850D+01 -0.337016D+00
               126           127           128           129           130 
      1   0.196850D+01 -0.284235D+01  0.258974D+01  0.865132D+00 -0.917768D+00
      2  -0.337016D+00  0.258974D+01  0.288065D+01  0.581737D+00  0.710108D+00
      3  -0.116258D+01  0.865132D+00  0.581737D+00 -0.424159D+01  0.186568D+01
               131           132           133           134           135 
      1   0.710108D+00  0.186568D+01 -0.574334D+01 -0.201288D+01 -0.661310D+01
      2   0.106722D+01  0.544398D+00 -0.201288D+01 -0.800789D+00  0.945997D+00
      3   0.544398D+00 -0.110939D+01 -0.661310D+01  0.945997D+00 -0.729133D+01
               136           137           138           139           140 
      1   0.949338D+00 -0.109752D+01 -0.135473D+01  0.215903D+01 -0.162618D+01
      2  -0.109752D+01  0.290052D+00  0.172326D+01 -0.162618D+01 -0.155688D+01
      3  -0.135473D+01  0.172326D+01 -0.340169D+00 -0.471729D+00 -0.192716D+01
               141           142           143           144           145 
      1  -0.471729D+00  0.569047D+00 -0.136631D+01 -0.176373D+01  0.535462D+01
      2  -0.192716D+01 -0.136631D+01 -0.468680D+01  0.275249D+01 -0.305764D+01
      3   0.393827D+01 -0.176373D+01  0.275249D+01 -0.887784D+01 -0.928436D+00
               146           147           148           149           150 
      1  -0.305764D+01 -0.928436D+00 -0.726977D+01  0.735046D+01 -0.332982D+00
      2   0.379047D+01 -0.135125D+01  0.735046D+01 -0.605954D+01 -0.649612D+00
      3  -0.135125D+01 -0.105676D+01 -0.332982D+00 -0.649612D+00 -0.158913D+01
               151           152           153           154           155 
      1  -0.240672D+01 -0.239201D+01 -0.203219D+00  0.995616D+00 -0.256595D+01
      2  -0.239201D+01 -0.237576D+00 -0.231286D+01 -0.256595D+01 -0.454597D+00
      3  -0.203219D+00 -0.231286D+01 -0.166209D+01 -0.272720D+01  0.349649D+01
               156           157           158           159           160 
      1  -0.272720D+01 -0.391072D+01 -0.355098D+00  0.440963D+01 -0.290574D+01
      2   0.349649D+01 -0.355098D+00  0.653594D+00 -0.165200D+01  0.417745D+01
      3   0.184144D+01  0.440963D+01 -0.165200D+01  0.511080D+00  0.204210D+01
               161           162           163           164           165 
      1   0.417745D+01  0.204210D+01  0.531933D+01  0.308188D+01  0.707163D+00
      2  -0.160156D+01  0.911697D+00  0.308188D+01  0.148450D+01 -0.295857D+01
      3   0.911697D+00 -0.164550D+01  0.707163D+00 -0.295857D+01 -0.522205D+00
               166           167           168           169           170 
      1   0.534183D+01  0.292918D+01 -0.442720D+01  0.695528D+00 -0.449033D+01
      2   0.292918D+01 -0.380543D+00  0.934529D+00 -0.449033D+01  0.719533D+00
      3  -0.442720D+01  0.934529D+00 -0.173051D+01  0.594676D+00 -0.198046D+01
               171           172           173           174           175 
      1   0.594676D+00  0.422698D+01  0.628730D+00  0.673060D+00  0.400021D+01
      2  -0.198046D+01  0.628730D+00  0.656576D+00  0.245283D+01  0.284542D+01
      3   0.664305D+00  0.673060D+00  0.245283D+01  0.201799D+01  0.309861D+01
               176           177           178           179           180 
      1   0.284542D+01  0.309861D+01 -0.819360D+00  0.213960D+01  0.312934D+01
      2   0.351638D+01 -0.235746D+00  0.213960D+01 -0.921562D+00  0.308600D+01
      3  -0.235746D+00  0.237541D+01  0.312934D+01  0.308600D+01  0.277954D+01
               181           182           183           184           185 
      1  -0.526846D-01 -0.609942D+01  0.122260D+00  0.120967D+01 -0.244396D+00
      2  -0.609942D+01 -0.356297D+00 -0.324413D+01 -0.244396D+00 -0.888718D+01
      3   0.122260D+00 -0.324413D+01 -0.653152D-01 -0.326106D+01  0.333943D+00
               186           187           188           189           190 
      1  -0.326106D+01  0.172775D+00 -0.479751D+01  0.229666D+00  0.902026D+01
      2   0.333943D+00 -0.479751D+01  0.214983D+00 -0.433766D+01 -0.168716D+01
      3  -0.120549D+01  0.229666D+00 -0.433766D+01  0.255253D+00 -0.524239D+00
               191           192           193           194           195 
      1  -0.168716D+01 -0.524239D+00 -0.478361D+01  0.166460D+01  0.254421D-01
      2   0.603316D+00  0.852330D+00  0.166460D+01 -0.110133D+02 -0.283256D+01
      3   0.852330D+00  0.151517D+01  0.254421D-01 -0.283256D+01 -0.303553D+01
               196           197           198           199           200 
      1  -0.350263D+01  0.111518D+01  0.830992D+00 -0.971597D+01 -0.980632D+00
      2   0.111518D+01 -0.189880D+01 -0.343126D+01 -0.980632D+00 -0.847541D+00
      3   0.830992D+00 -0.343126D+01 -0.701616D+01  0.584818D+00  0.708425D+00
               201           202           203           204           205 
      1   0.584818D+00 -0.364142D+01 -0.201401D+01  0.322338D+00  0.373077D+01
      2   0.708425D+00 -0.201401D+01 -0.999585D+01  0.306112D+01  0.976783D+00
      3  -0.176279D+01  0.322338D+00  0.306112D+01 -0.288319D+01 -0.119027D+01
               206           207           208           209           210 
      1   0.976783D+00 -0.119027D+01 -0.203433D+01  0.105501D+01  0.252468D+01
      2   0.222424D+01 -0.320033D+01  0.105501D+01 -0.696414D+00 -0.139455D+01
      3  -0.320033D+01  0.798310D+01  0.252468D+01 -0.139455D+01 -0.415205D+01
               211           212           213           214           215 
      1   0.896217D+00 -0.499196D+00 -0.624897D+00  0.226373D+01 -0.348700D+00
      2  -0.499196D+00  0.680281D+00  0.463873D+00 -0.348700D+00  0.680914D+00
      3  -0.624897D+00  0.463873D+00 -0.867521D-01 -0.242316D+01  0.212560D+00
               216           217           218           219           220 
      1  -0.242316D+01  0.418263D+00 -0.364009D+00 -0.251238D-01 -0.977279D+00
      2   0.212560D+00 -0.364009D+00  0.315756D+00  0.925490D-02  0.949514D+00
      3   0.384556D+01 -0.251238D-01  0.925490D-02 -0.886857D+00 -0.125409D+01
               221           222           223           224           225 
      1   0.949514D+00 -0.125409D+01  0.540093D+00 -0.236985D+00 -0.393727D-01
      2  -0.335605D+01  0.351825D+01 -0.236985D+00  0.223121D+01 -0.268453D+01
      3   0.351825D+01 -0.446059D+01 -0.393727D-01 -0.268453D+01  0.422525D+01
               226           227           228           229           230 
      1  -0.846881D+00 -0.528659D+00 -0.761206D+00 -0.175079D+01 -0.974454D-01
      2  -0.528659D+00 -0.470754D+00  0.210900D+00 -0.974454D-01  0.812363D+00
      3  -0.761206D+00  0.210900D+00 -0.962533D+00  0.351438D-01 -0.688197D+00
               231           232           233           234           235 
      1   0.351438D-01 -0.416993D+01 -0.778571D+00  0.130084D+01  0.896807D-01
      2  -0.688197D+00 -0.778571D+00 -0.122110D+01  0.134334D+01  0.861651D+00
      3  -0.568632D+00  0.130084D+01  0.134334D+01 -0.584979D+01  0.188199D+00
               236           237           238           239           240 
      1   0.861651D+00  0.188199D+00  0.318996D+01  0.212417D+01 -0.774738D+00
      2   0.780213D+00 -0.682624D-01  0.212417D+01  0.896726D+01 -0.130296D+01
      3  -0.682624D-01 -0.351674D+00 -0.774738D+00 -0.130296D+01  0.765608D+00
               241           242           243           244           245 
      1   0.101635D+00 -0.713476D-01  0.170264D+00  0.603119D+01  0.216365D+01
      2  -0.713476D-01  0.485750D-01  0.967677D+00  0.216365D+01  0.125780D+01
      3   0.170264D+00  0.967677D+00 -0.446056D+00 -0.345234D+01 -0.110075D+01
               246           247           248           249           250 
      1  -0.345234D+01  0.266012D+01  0.192416D+01 -0.126116D+01 -0.629880D+01
      2  -0.110075D+01  0.192416D+01  0.120497D+01 -0.139183D+01 -0.194952D+01
      3   0.250391D+01 -0.126116D+01 -0.139183D+01  0.139963D+01  0.517634D+01
               251           252           253           254           255 
      1  -0.194952D+01  0.517634D+01  0.425988D+01  0.202837D+01  0.181825D+01
      2  -0.170762D+01  0.230605D+01  0.202837D+01  0.125239D+01  0.656386D+00
      3   0.230605D+01 -0.491517D+01  0.181825D+01  0.656386D+00  0.149580D+01
               256           257           258           259           260 
      1   0.302173D+01  0.189313D+01  0.790673D+00  0.441373D+01  0.164063D+01
      2   0.189313D+01  0.154832D+01  0.108747D+01  0.164063D+01  0.190166D+01
      3   0.790673D+00  0.108747D+01  0.113019D+01  0.300583D+01  0.174404D+01
               261           262           263           264           265 
      1   0.300583D+01 -0.229825D+01 -0.142535D+01 -0.994467D+00 -0.196348D+01
      2   0.174404D+01 -0.142535D+01 -0.411467D+00 -0.167034D+00 -0.807681D-01
      3   0.292749D+01 -0.994467D+00 -0.167034D+00 -0.114964D+01  0.744338D-02
               266           267           268           269           270 
      1  -0.807681D-01  0.744338D-02 -0.174638D+01 -0.161247D+00 -0.222583D+00
      2  -0.840038D+00 -0.930750D+00 -0.161247D+00 -0.169108D+01 -0.156083D+01
      3  -0.930750D+00 -0.114642D+01 -0.222583D+00 -0.156083D+01 -0.362976D+01
               271           272           273           274           275 
      1   0.133877D+02 -0.432848D+01 -0.165708D+01 -0.427455D+01  0.299639D+01
      2  -0.432848D+01  0.237963D+01  0.365619D+00  0.299639D+01 -0.184816D+01
      3  -0.165708D+01  0.365619D+00  0.708014D+00  0.603997D+00 -0.412616D+00
               276           277           278           279           280 
      1   0.603997D+00 -0.492785D+00  0.305283D+00  0.126053D+01  0.898457D+01
      2  -0.412616D+00  0.305283D+00 -0.179639D+00 -0.784842D+00 -0.144112D+01
      3  -0.580577D+00  0.126053D+01 -0.784842D+00 -0.353973D+00  0.403269D+01
               281           282           283           284           285 
      1  -0.144112D+01  0.403269D+01  0.254175D+00  0.143178D+01 -0.426171D-01
      2   0.722526D+00 -0.873624D+00  0.143178D+01 -0.927287D+00  0.813921D+00
      3  -0.873624D+00  0.307676D+01 -0.426171D-01  0.813921D+00  0.319817D+00
               286           287           288           289           290 
      1   0.776781D+01 -0.197578D+01  0.507601D+01 -0.212675D+00 -0.111858D+01
      2  -0.197578D+01  0.112884D+01 -0.112321D+01 -0.111858D+01 -0.438882D+00
      3   0.507601D+01 -0.112321D+01  0.514760D+01  0.358946D-01  0.144860D+00
               291           292           293           294           295 
      1   0.358946D-01 -0.345525D+01  0.225893D+01 -0.209913D+00  0.475599D+00
      2   0.144860D+00  0.225893D+01 -0.763604D+01  0.995719D+00 -0.349706D+00
      3   0.388690D-01 -0.209913D+00  0.995719D+00 -0.923845D+00  0.853213D+00
               296           297           298           299           300 
      1  -0.349706D+00  0.853213D+00  0.274503D+01  0.337303D+01  0.102138D+01
      2   0.214463D+00 -0.700075D+00  0.337303D+01  0.676214D+01  0.124412D+01
      3  -0.700075D+00  0.523916D+00  0.102138D+01  0.124412D+01  0.638661D+00
               301           302           303           304           305 
      1   0.247370D+01  0.314232D+01  0.794001D+00  0.529182D+00  0.707429D+00
      2   0.314232D+01  0.117634D+02  0.173856D+01  0.707429D+00  0.635557D+00
      3   0.794001D+00  0.173856D+01  0.115696D+01  0.482796D+00  0.185780D+01
               306           307           308           309           310 
      1   0.482796D+00 -0.306383D+01  0.138387D+01  0.153697D+01  0.471720D+00
      2   0.185780D+01  0.138387D+01 -0.138966D+01 -0.104043D+01 -0.723427D+00
      3   0.741316D+00  0.153697D+01 -0.104043D+01 -0.171917D+01 -0.493499D+00
               311           312           313           314           315 
      1  -0.723427D+00 -0.493499D+00  0.169477D+01 -0.100328D+01 -0.155004D+01
      2   0.182554D+01  0.120054D+01 -0.100328D+01  0.222775D+01  0.154165D+01
      3   0.120054D+01  0.848969D+00 -0.155004D+01  0.154165D+01  0.266988D+01
               316           317           318           319           320 
      1   0.298412D+01  0.139080D+01 -0.156655D+01  0.496219D+00  0.635871D+00
      2   0.139080D+01  0.129488D+01 -0.103016D+01  0.635871D+00  0.167318D+01
      3  -0.156655D+01 -0.103016D+01  0.181137D+01 -0.449283D+00 -0.113889D+01
               321           322           323           324           325 
      1  -0.449283D+00 -0.162921D+01 -0.103305D+01  0.154893D+01 -0.252654D+01
      2  -0.113889D+01 -0.103305D+01 -0.210505D+01  0.149445D+01  0.318008D+01
      3   0.765424D+00  0.154893D+01  0.149445D+01 -0.269675D+01 -0.104560D+01
               326           327           328           329           330 
      1   0.318008D+01 -0.104560D+01  0.232120D+01 -0.291989D+01  0.830935D+00
      2  -0.667251D+01  0.136809D+01 -0.291989D+01  0.116996D+02 -0.191574D+01
      3   0.136809D+01 -0.664225D+00  0.830935D+00 -0.191574D+01  0.123240D+01
               331           332           333           334           335 
      1  -0.560740D+00  0.761712D+00 -0.466744D+00  0.256840D+01  0.105355D+01
      2   0.761712D+00 -0.854590D+00  0.188414D+01  0.105355D+01  0.640668D+00
      3  -0.466744D+00  0.188414D+01 -0.815231D+00 -0.264827D+01 -0.127493D+01
               336           337           338           339           340 
      1  -0.264827D+01  0.885770D+00  0.507574D+00 -0.480175D+00 -0.231068D+01
      2  -0.127493D+01  0.507574D+00  0.630076D+00 -0.404122D+00 -0.318031D+00
      3   0.410034D+01 -0.480175D+00 -0.404122D+00 -0.306842D+00  0.239558D+01
               341           342           343           344           345 
      1  -0.318031D+00  0.239558D+01 -0.312246D+00 -0.449129D+00 -0.126854D+00
      2  -0.649385D+00  0.544732D-01 -0.449129D+00 -0.330894D+00 -0.876818D-03
      3   0.544732D-01 -0.352128D+01 -0.126854D+00 -0.876818D-03  0.920605D+00
               346           347           348           349           350 
      1  -0.101178D+01 -0.835371D+00 -0.114604D+01 -0.466388D+00 -0.209244D+00
      2  -0.835371D+00 -0.336059D+01 -0.349082D+01 -0.209244D+00 -0.228506D+01
      3  -0.114604D+01 -0.349082D+01 -0.448885D+01  0.109337D+00 -0.269971D+01
               351           352           353           354           355 
      1   0.109337D+00 -0.548471D+01  0.320064D+01  0.135745D+00  0.632879D+01
      2  -0.269971D+01  0.320064D+01 -0.338763D+01  0.324768D+00 -0.568314D+01
      3  -0.399306D+01  0.135745D+00  0.324768D+00 -0.224100D+00 -0.593268D+00
               356           357           358           359           360 
      1  -0.568314D+01 -0.593268D+00 -0.241492D+01  0.193802D+01 -0.504291D+00
      2   0.817978D+01  0.101505D-01  0.193802D+01 -0.217788D+01  0.124375D+01
      3   0.101505D-01  0.101853D+01 -0.504291D+00  0.124375D+01 -0.615449D+00
               361           362           363           364           365 
      1   0.247734D+01  0.640863D+00  0.731665D+00  0.189956D+01 -0.570548D+00
      2   0.640863D+00  0.622698D+00  0.815641D+00 -0.570548D+00  0.242476D+01
      3   0.731665D+00  0.815641D+00  0.106235D+01 -0.801319D-01  0.143314D+01
               366           367           368           369           370 
      1  -0.801319D-01  0.227866D+01  0.607506D+00 -0.125550D+00 -0.799721D+01
      2   0.143314D+01  0.607506D+00  0.177903D+01  0.243284D+01  0.260208D+01
      3   0.131607D+01 -0.125550D+00  0.243284D+01  0.383200D+01  0.404976D+01
               371           372           373           374           375 
      1   0.260208D+01  0.404976D+01  0.394280D+01 -0.233366D+01 -0.235140D+01
      2  -0.144021D+01 -0.180449D+01 -0.233366D+01  0.203310D+01  0.183508D+01
      3  -0.180449D+01 -0.294698D+01 -0.235140D+01  0.183508D+01  0.172510D+01
               376           377           378           379           380 
      1   0.398098D+01 -0.164889D+01 -0.371736D+01  0.244571D+01 -0.103944D+01
      2  -0.164889D+01  0.117806D+01  0.148565D+01 -0.103944D+01  0.802910D+00
      3  -0.371736D+01  0.148565D+01  0.364488D+01  0.891250D+00 -0.486839D+00
               381           382           383           384           385 
      1   0.891250D+00 -0.196994D+01  0.665059D+00 -0.572890D+00  0.159778D+01
      2  -0.486839D+00  0.665059D+00 -0.187089D+01  0.124153D+01 -0.491331D+00
      3   0.446351D+00 -0.572890D+00  0.124153D+01 -0.183295D+01 -0.311472D+00
               386           387           388           389           390 
      1  -0.491331D+00 -0.311472D+00 -0.111132D+02 -0.379500D+01  0.126743D+01
      2   0.127926D+01 -0.123186D+01 -0.379500D+01 -0.201405D+01  0.592717D+00
      3  -0.123186D+01  0.319376D+01  0.126743D+01  0.592717D+00 -0.811484D+00
               391           392           393           394           395 
      1  -0.638304D+01 -0.355210D+01  0.114301D+01  0.315254D+01  0.151802D+01
      2  -0.355210D+01 -0.261669D+01  0.337162D+00  0.151802D+01  0.597890D+00
      3   0.114301D+01  0.337162D+00 -0.472757D+00 -0.177682D+01 -0.475811D+00
               396           397           398           399           400 
      1  -0.177682D+01 -0.468652D+01  0.135237D+01 -0.188818D+01  0.335457D+01
      2  -0.475811D+00  0.135237D+01 -0.105604D+01  0.820116D+00 -0.249258D+01
      3   0.792824D+00 -0.188818D+01  0.820116D+00 -0.111263D+01  0.198047D+01
               401           402           403           404           405 
      1  -0.249258D+01  0.198047D+01 -0.384513D+01  0.170115D+01 -0.236110D+01
      2   0.247666D+01 -0.144673D+01  0.170115D+01 -0.135733D+01  0.144838D+01
      3  -0.144673D+01  0.190753D+01 -0.236110D+01  0.144838D+01 -0.287494D+01
               406           407           408           409           410 
      1   0.296310D+00 -0.107381D+01  0.113197D+01 -0.406071D+01 -0.226347D+01
      2  -0.107381D+01 -0.106859D+00 -0.167293D-01 -0.226347D+01 -0.519221D+01
      3   0.113197D+01 -0.167293D-01  0.163973D+00 -0.474023D+00  0.688108D+00
               411           412           413           414           415 
      1  -0.474023D+00  0.365916D+01  0.157683D+00 -0.297113D+00 -0.348379D+01
      2   0.688108D+00  0.157683D+00  0.158909D+01 -0.120402D+01 -0.143532D+01
      3  -0.991059D+00 -0.297113D+00 -0.120402D+01  0.544790D+00 -0.232447D+01
               416           417           418           419           420 
      1  -0.143532D+01 -0.232447D+01 -0.243339D+01 -0.217068D+01 -0.161290D+01
      2  -0.110281D+01 -0.144891D+01 -0.217068D+01 -0.258755D+01 -0.190095D+01
      3  -0.144891D+01 -0.193486D+01 -0.161290D+01 -0.190095D+01 -0.188851D+01
               421           422           423 
      1  -0.502434D+01 -0.250412D+01 -0.392357D+01
      2  -0.250412D+01 -0.237648D+01 -0.325657D+01
      3  -0.392357D+01 -0.325657D+01 -0.583135D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.772907D+01  0.152771D+00 -0.359590D+01  0.342131D+01  0.727837D+01
      2   0.322790D+01  0.307265D+01  0.106609D+02  0.101273D+02  0.559617D+01
      3  -0.173675D+02  0.345245D+01  0.287800D+01  0.146557D+02  0.212670D+02
                 6             7             8             9            10 
      1  -0.533197D+01  0.391767D+01  0.783551D+01 -0.135224D+02 -0.343823D+01
      2   0.402571D+01 -0.160071D+02 -0.601199D+01  0.274486D+02 -0.269248D+02
      3  -0.238698D+01  0.479388D+01  0.217640D+01 -0.163948D-01  0.203520D+02
                11            12            13            14            15 
      1   0.161709D+02 -0.159519D+01  0.354293D+02 -0.618618D+01 -0.554327D+01
      2  -0.153764D+02  0.194988D+01 -0.455797D+02 -0.810630D+01  0.194607D+02
      3  -0.128063D+02  0.674118D+01  0.127096D+01  0.128062D+02 -0.135016D+02
                16            17            18            19            20 
      1   0.149110D+01 -0.112337D+02  0.117680D+02 -0.110294D+02  0.134152D+02
      2   0.109940D+02  0.293053D+01 -0.208139D+02 -0.290400D+02  0.157877D+01
      3  -0.920090D+01  0.873224D+01  0.301270D+01  0.180993D+02 -0.127857D+02
                21            22            23            24            25 
      1  -0.118436D+02 -0.817141D+01 -0.137791D+01 -0.286501D+01  0.140144D+02
      2  -0.643731D+01  0.388898D+02 -0.103062D+02 -0.198860D+02 -0.413547D+02
      3   0.101486D+02 -0.228667D+01  0.128829D+01  0.166999D+02  0.148075D+01
                26            27            28            29            30 
      1  -0.612297D+01  0.821203D+00 -0.435911D+00  0.202946D+01 -0.246590D+01
      2  -0.869306D+01  0.862036D+01  0.286937D+00  0.601550D+00 -0.601065D+01
      3   0.161945D+02 -0.982736D+01  0.278084D+01 -0.523997D+01 -0.141564D+00
                31            32            33            34            35 
      1   0.893114D+00  0.104935D+02 -0.607882D+01 -0.930989D+01  0.114913D+01
      2  -0.548425D+01  0.488656D+01 -0.526086D+01 -0.177972D+02 -0.321476D+01
      3   0.142297D+02 -0.288136D+02 -0.560553D+00  0.111102D+01 -0.637274D+01
                36            37            38            39            40 
      1   0.350961D+00 -0.431809D+01  0.644421D+00  0.250795D+01  0.506267D+00
      2   0.516864D+00 -0.227328D+01  0.317186D+01  0.186217D+02  0.291526D+01
      3   0.862172D+01 -0.219674D+02 -0.222650D+01  0.356834D+00  0.102003D+01
                41            42            43            44            45 
      1   0.259836D+01 -0.153095D+01  0.325438D+01  0.318536D+01 -0.220623D+01
      2   0.534197D+01  0.105628D+02  0.194960D+02  0.115451D+02  0.509841D+01
      3   0.147330D+02 -0.576767D+01 -0.216792D+01 -0.480544D+01 -0.129195D+02
                46            47            48            49            50 
      1   0.549288D+01 -0.299516D+00  0.371761D+01 -0.265839D+01 -0.363160D+01
      2   0.573486D+01 -0.109418D+01 -0.190511D+02 -0.538798D+00 -0.404687D+01
      3   0.266288D+02 -0.394261D+01 -0.248852D+01 -0.214570D+01 -0.160297D+02
                51            52            53            54            55 
      1   0.265558D+01  0.777770D+01  0.733455D+01  0.100922D+01  0.262378D+01
      2  -0.126874D+02 -0.407459D+02 -0.172584D+02  0.781305D+00 -0.165224D+02
      3   0.510028D+01  0.192623D+00  0.314157D+01  0.853748D+01  0.247700D+02
                56            57            58            59            60 
      1  -0.117565D+02  0.627229D+01 -0.114662D+02 -0.479352D+01 -0.391788D+01
      2  -0.340024D+01  0.170606D+02  0.224332D+02  0.491237D+01 -0.714163D+01
      3   0.751345D+01 -0.660870D+01  0.120661D+01  0.368039D+01  0.625808D+01
                61            62            63            64            65 
      1  -0.189090D+02  0.105582D+02 -0.107383D+02 -0.606990D+01 -0.875237D+01
      2   0.124946D+02  0.623557D+01  0.731793D+01  0.252790D+02  0.855945D+01
      3   0.473928D+01 -0.770416D+01  0.133752D+02 -0.210278D+02 -0.395208D+00
                66            67            68            69            70 
      1   0.181002D+00  0.272284D+01 -0.149991D+02  0.866030D+01 -0.773983D+01
      2   0.594306D+01 -0.938966D+01  0.747141D+01  0.475982D+01  0.422694D+01
      3  -0.151648D+01  0.757345D+01  0.975158D+01 -0.171498D+02 -0.207440D+01
                71            72            73            74            75 
      1   0.102976D+02 -0.129943D+02  0.319663D+02 -0.159561D+02  0.103440D+02
      2   0.933510D+01  0.162723D+02  0.885905D+01 -0.211788D+01  0.457382D+01
      3  -0.740726D+01  0.346766D+00 -0.363521D+02  0.429067D+01 -0.938050D+01
                76            77            78            79            80 
      1   0.977684D+01  0.464859D+02  0.438544D+01  0.123200D+02  0.583059D+01
      2  -0.836888D+01  0.673291D+01  0.670323D+01 -0.281813D+00  0.684240D+01
      3  -0.398911D+01 -0.381349D+02 -0.721795D+01 -0.121714D+02  0.485843D+01
                81            82            83            84            85 
      1   0.237521D+02  0.422138D+01  0.555455D+00 -0.120819D+02 -0.104466D+02
      2  -0.957762D+01 -0.273950D+01  0.372225D+01  0.565949D+01  0.161725D+01
      3  -0.194448D+02  0.694797D+01 -0.179601D+02 -0.794356D+01  0.135990D+01
                86            87            88            89            90 
      1  -0.159359D+02 -0.646273D+01 -0.147767D+02  0.874624D+01 -0.947638D+01
      2  -0.883514D+00  0.147273D+01  0.166201D+01  0.225522D+01 -0.337989D+01
      3  -0.129274D+01  0.541170D+01 -0.770606D+01 -0.595298D+00  0.137653D+02
                91            92            93            94            95 
      1  -0.350457D+01  0.144014D+01  0.121221D+02 -0.965446D+01  0.150771D+02
      2  -0.180563D+01 -0.416684D+01  0.529041D+01 -0.249236D-02 -0.176972D+01
      3  -0.722418D+01 -0.183905D+02  0.810145D+01  0.135265D+01  0.228310D+01
                96            97            98            99           100 
      1  -0.671206D+01  0.153782D+02  0.889787D+01  0.999626D+01 -0.319653D+02
      2  -0.120925D+01  0.850529D+00 -0.282621D+01 -0.338582D+01  0.184357D+02
      3   0.467978D+01  0.653498D+01 -0.122313D+01 -0.135930D+02  0.395290D+02
               101           102           103           104           105 
      1  -0.133736D+02 -0.972628D+01  0.739013D+01 -0.455275D+02  0.561075D+01
      2   0.418851D+01  0.439480D+01  0.515667D+01  0.883515D+01 -0.604142D+01
      3   0.261780D+01  0.736558D+01 -0.397987D+01  0.380778D+02 -0.716886D+01
               106           107           108           109           110 
      1  -0.128348D+02  0.263628D+01 -0.261121D+02  0.838912D+01  0.149878D+02
      2  -0.321520D+00 -0.734820D+01 -0.629433D+01 -0.289294D+02  0.129523D+02
      3   0.140112D+02  0.619555D+01  0.215604D+02 -0.204570D+02 -0.141826D+02
               111           112           113           114           115 
      1  -0.920561D+00  0.369335D+02  0.292742D+01 -0.459286D+01 -0.483447D+01
      2  -0.295787D+01  0.359247D+02 -0.134175D+02 -0.179639D+02  0.960372D+01
      3  -0.653120D+01 -0.346035D+01 -0.142771D+02 -0.903529D+01  0.463750D+01
               116           117           118           119           120 
      1  -0.107176D+02 -0.124387D+02  0.145888D+02  0.141145D+02  0.103578D+02
      2  -0.199418D+01 -0.202631D+02 -0.330467D+02 -0.598562D+01 -0.653146D+01
      3   0.856174D+01 -0.260115D+01 -0.167519D+02 -0.145072D+02 -0.815980D+01
               121           122           123           124           125 
      1  -0.103762D+02  0.238535D+01 -0.275284D+01 -0.163082D+02 -0.615654D+01
      2  -0.350376D+02 -0.649417D+01  0.237639D+02 -0.377857D+02  0.978041D+01
      3   0.270469D+01  0.189467D+01  0.151397D+02  0.319301D+01  0.158578D+02
               126           127           128           129           130 
      1   0.117635D+01 -0.830987D+01 -0.134058D+02 -0.578602D+01 -0.131867D+02
      2   0.123725D+02 -0.192799D+02  0.537697D+01  0.211434D+02 -0.191470D+02
      3   0.886489D+01 -0.183785D+02  0.925433D+01  0.692337D+01  0.367995D+01
               131           132           133           134           135 
      1   0.405350D+01 -0.453796D+01  0.224173D+02  0.979150D+01  0.114113D+02
      2   0.511734D+01  0.744630D+01  0.870093D+01 -0.729252D+01  0.698203D+01
      3  -0.286729D+01  0.513128D+01 -0.825948D+01 -0.716280D+01 -0.126497D+02
               136           137           138           139           140 
      1   0.559212D+01 -0.804219D+01  0.797960D+00  0.694917D+01  0.174268D+02
      2   0.250044D+02 -0.769247D+01  0.584086D+01  0.106207D+02  0.572112D+01
      3   0.188127D+02 -0.662039D+00  0.117641D+01  0.405232D+01 -0.125817D+02
               141           142           143           144           145 
      1   0.963936D+01  0.918098D+01  0.124301D+02  0.143855D+02  0.460679D+01
      2  -0.948611D+01  0.423244D+01 -0.976404D+01  0.163459D+02  0.609594D+01
      3  -0.169984D+02  0.129252D+01 -0.754873D+01 -0.163009D+01  0.242103D+01
               146           147           148           149           150 
      1   0.519929D+01  0.236534D+01  0.529470D+01  0.651909D+00  0.137286D-01
      2   0.453393D+01  0.929059D+01 -0.100825D+02  0.470087D+01  0.919903D+01
      3   0.316163D+01 -0.112259D+02  0.143157D+02 -0.610460D+01 -0.267032D+01
               151           152           153           154           155 
      1  -0.413792D+01  0.108489D+02  0.681070D+01 -0.447712D+01 -0.286276D+01
      2  -0.702038D+01  0.184018D+02  0.172893D+02  0.101950D+02 -0.139234D+02
      3  -0.123034D+02 -0.646990D+01 -0.119110D+02 -0.160839D+02 -0.666579D+01
               156           157           158           159           160 
      1   0.510438D+01 -0.591535D+01  0.154734D+01 -0.515509D+01  0.784344D+01
      2  -0.270949D+01 -0.196800D+02  0.832059D+01 -0.113565D+02 -0.793234D+01
      3   0.181077D+02 -0.595559D+01  0.483224D+01 -0.369690D+01  0.231839D+02
               161           162           163           164           165 
      1  -0.310128D+00  0.236277D+01  0.928825D+00 -0.130350D+01 -0.169445D+01
      2  -0.127432D+02  0.483803D+01 -0.326838D+01  0.188124D+02  0.514648D+01
      3  -0.371477D+01  0.777789D+01  0.187035D+02  0.609194D+01 -0.179147D+02
               166           167           168           169           170 
      1  -0.183755D+01 -0.128782D+01 -0.316578D+01 -0.375749D+01 -0.245197D+00
      2   0.305648D+02 -0.351417D+01  0.973206D+01 -0.439375D+01  0.106488D+02
      3   0.191746D+02 -0.347271D+01  0.601637D+01 -0.293061D+02  0.370354D+01
               171           172           173           174           175 
      1  -0.988139D+00 -0.207071D+01  0.297328D+01  0.793228D+00  0.213732D+01
      2  -0.263227D+01  0.688970D+01 -0.884243D+01 -0.580339D+01 -0.604948D+01
      3  -0.110914D+02 -0.439850D+00  0.657818D+00  0.975298D+01  0.128890D+02
               176           177           178           179           180 
      1  -0.106190D+02  0.547827D+00  0.574946D+01  0.127585D+02  0.311331D+01
      2   0.133825D+02 -0.753207D+01 -0.212081D+02 -0.145231D+02 -0.486643D+01
      3   0.153850D+02 -0.109975D+02  0.118860D+02 -0.998996D+01  0.118103D+02
               181           182           183           184           185 
      1   0.251163D+01  0.155438D+02  0.244592D+00 -0.259459D+02 -0.131569D+01
      2   0.577482D+02  0.590449D+00  0.257642D+02  0.327977D+01 -0.625020D+01
      3  -0.209483D+01 -0.200465D+02 -0.178330D+01  0.849845D+02 -0.879183D+00
               186           187           188           189           190 
      1  -0.553908D+02 -0.243931D+01  0.233226D+02 -0.991554D+00  0.202739D+01
      2  -0.754740D+00 -0.428591D+02  0.863093D+00 -0.287265D+02  0.177721D+01
      3   0.836501D+01 -0.411416D+01 -0.216619D+02  0.205885D+01 -0.117636D+02
               191           192           193           194           195 
      1  -0.562815D+01 -0.483849D+00 -0.752424D+01  0.778403D+01 -0.795207D+01
      2   0.122818D+00  0.580891D+01  0.106764D+01  0.152436D+01 -0.182479D+01
      3  -0.920189D+01 -0.110592D+01  0.590192D+01  0.567773D+01  0.728743D+01
               196           197           198           199           200 
      1   0.132133D+01  0.111849D+02 -0.400195D+01 -0.407174D+01 -0.652701D+01
      2  -0.782371D+01  0.790964D+00  0.269431D+01  0.313911D+01 -0.480482D+00
      3  -0.442939D+01  0.474031D+01 -0.152608D+01  0.978359D+01 -0.105588D+02
               201           202           203           204           205 
      1   0.592185D-01 -0.876261D+01 -0.638794D+01 -0.570156D+01 -0.424344D+00
      2   0.771744D+01 -0.259253D+01  0.237003D+01  0.280005D+01 -0.629240D+01
      3   0.306419D+01  0.190319D+01 -0.550327D+01  0.827894D+01  0.772196D+01
               206           207           208           209           210 
      1   0.123307D+02  0.272392D+01  0.189341D+01 -0.197308D+01  0.616623D-01
      2  -0.118393D+01  0.244452D+01  0.942920D+01 -0.498357D+01 -0.914817D+01
      3   0.621448D+01  0.436735D+00 -0.904239D+00  0.155617D+00  0.334954D+01
               211           212           213           214           215 
      1  -0.110101D+01  0.142502D+01  0.959043D+00  0.181550D+01  0.232268D+01
      2  -0.664876D+01  0.226387D+01  0.156121D+01 -0.124182D+02  0.668490D+00
      3   0.311224D+01 -0.617384D+00 -0.845086D+00  0.397679D+01  0.906116D+00
               216           217           218           219           220 
      1  -0.241686D+01 -0.912970D+00  0.206193D+01 -0.511820D+00  0.270724D+01
      2   0.950677D+01 -0.315669D+00  0.797734D+00 -0.124882D+01  0.183944D+01
      3  -0.246554D+01  0.121832D+01 -0.201395D+01 -0.396463D+00  0.858613D+00
               221           222           223           224           225 
      1  -0.847480D+01  0.612733D+01 -0.333994D+00  0.758488D+01 -0.502279D+01
      2   0.373703D+01 -0.461950D+01 -0.225418D+01 -0.512949D+01  0.758073D+01
      3   0.526132D+01 -0.624315D+01 -0.570499D+00 -0.510082D+01  0.525744D+01
               226           227           228           229           230 
      1   0.359922D+01 -0.392813D-01  0.237659D+01 -0.881354D+00  0.114179D+01
      2  -0.707694D+01  0.245608D+00 -0.633958D+01 -0.238236D+01 -0.436510D+01
      3  -0.873841D+00  0.321705D+00 -0.276511D+01 -0.235485D+01 -0.282201D+01
               231           232           233           234           235 
      1   0.189335D+01 -0.322130D+01  0.330185D+00  0.140429D+02 -0.217872D+01
      2  -0.243819D+01 -0.237190D+01  0.572462D+01 -0.272582D+02  0.319885D+01
      3   0.311195D+01 -0.509822D+01  0.891775D+00 -0.284679D+01 -0.451179D+01
               236           237           238           239           240 
      1  -0.105817D+01  0.424719D+00  0.380424D+00 -0.740155D+01 -0.304027D+01
      2   0.479887D+00 -0.680199D+00 -0.513664D+00 -0.610207D+01  0.327432D+01
      3  -0.819904D+00  0.118651D+01  0.520048D+01 -0.295262D+02  0.199182D+01
               241           242           243           244           245 
      1   0.146791D+00 -0.138814D+01  0.288865D+00  0.173651D+01 -0.931169D+00
      2  -0.296383D+00  0.355208D+01 -0.268890D+01 -0.116989D+02 -0.396282D+01
      3   0.141213D+01 -0.146188D+01 -0.328595D+01 -0.428977D+01 -0.568075D+01
               246           247           248           249           250 
      1  -0.295758D+01  0.696186D+00  0.211897D+00 -0.143703D+01 -0.544250D+01
      2   0.123839D+02 -0.409170D+01 -0.558188D+01  0.686173D+01  0.189462D+02
      3   0.170719D+01 -0.445294D+01 -0.388748D+01  0.507181D+01  0.453019D+00
               251           252           253           254           255 
      1   0.114778D+01  0.471625D+01 -0.359639D+01 -0.102215D+01 -0.267312D+01
      2   0.105216D+02 -0.224591D+02  0.102785D+02  0.427603D+01  0.101649D+02
      3   0.808810D+01 -0.509289D+01 -0.612134D+01 -0.601832D+01 -0.599993D+00
               256           257           258           259           260 
      1  -0.196267D+01 -0.175834D+01 -0.344732D+01 -0.416423D+01 -0.164051D+01
      2   0.538686D+01  0.655899D+01  0.671253D+01  0.159437D+02  0.934299D+01
      3  -0.334857D+01 -0.579413D+01 -0.489650D+01 -0.915417D+00 -0.997051D+01
               261           262           263           264           265 
      1  -0.544605D+01  0.156471D+01  0.132470D+01 -0.995335D+00  0.651656D+00
      2   0.182793D+02 -0.111308D+02 -0.402359D+01 -0.785729D+01 -0.323168D+01
      3  -0.492050D+01  0.127276D+02  0.567643D+01  0.253920D+01  0.744550D+01
               266           267           268           269           270 
      1  -0.238278D+00 -0.109730D+01  0.888690D-01  0.228651D+01 -0.271623D+01
      2  -0.617573D+01 -0.587534D+01 -0.104570D+02 -0.864056D+01 -0.201463D+02
      3   0.552144D+01  0.539042D+01  0.564817D+01  0.911407D+01  0.918763D+01
               271           272           273           274           275 
      1   0.841984D+00 -0.220133D+01  0.155611D+01 -0.968901D+00  0.761265D+00
      2  -0.104973D+01 -0.485299D+00  0.574406D+01 -0.216361D-01 -0.517726D+00
      3   0.103398D+02 -0.128602D+02 -0.484741D+00 -0.909600D+01  0.722906D+01
               276           277           278           279           280 
      1  -0.139955D+01  0.479004D+00  0.382252D+00 -0.284819D-01  0.267096D+01
      2  -0.390826D+01  0.356291D+01 -0.384124D+01 -0.130837D+01  0.155388D+01
      3   0.125311D+01 -0.722299D+00  0.410622D+00  0.351651D+01 -0.443756D+01
               281           282           283           284           285 
      1   0.313578D+00  0.420014D+01  0.131015D+01 -0.367897D-01  0.574802D+00
      2  -0.770811D+00  0.100141D+02 -0.134934D+01  0.102822D+01  0.196594D+01
      3  -0.375547D+01 -0.153274D+01 -0.579935D+01  0.314248D+01 -0.332243D+01
               286           287           288           289           290 
      1   0.402009D+01  0.245883D+01  0.515652D+01 -0.287812D+01 -0.216721D+01
      2   0.759025D+01 -0.110971D+01  0.146936D+02  0.139682D+01 -0.133261D+00
      3  -0.543048D+00 -0.370408D+01 -0.117773D+01  0.751302D+01  0.536182D+01
               291           292           293           294           295 
      1  -0.392306D+00  0.168812D+01 -0.872910D+01 -0.381930D+01 -0.871506D+00
      2  -0.410716D+00  0.324645D+01 -0.173694D+01 -0.395903D+01 -0.952708D+00
      3   0.156956D+01 -0.394786D+00  0.344219D+02 -0.283401D+01  0.334129D+01
               296           297           298           299           300 
      1  -0.822582D-01 -0.245822D+01 -0.781521D+00  0.492223D+01 -0.323012D+01
      2  -0.299008D+01 -0.133402D+01 -0.281779D+01 -0.150028D+01  0.704481D+00
      3   0.164315D+01  0.411204D+01  0.117374D+02  0.659435D+01  0.408273D+01
               301           302           303           304           305 
      1  -0.208391D+01  0.718512D+01 -0.695524D+01 -0.207252D+01 -0.515800D+01
      2  -0.205673D+01 -0.202601D+00  0.539023D+00 -0.160419D+01  0.427609D+00
      3   0.122064D+02  0.545732D+01  0.387751D+01  0.267332D+01  0.176570D+01
               306           307           308           309           310 
      1  -0.571210D+00 -0.490611D+01  0.172757D+01  0.775032D+01  0.143946D+01
      2   0.109508D+01  0.798130D+01 -0.123903D+01 -0.202670D+01  0.751189D+00
      3   0.958300D+00 -0.171367D+02  0.377765D+01  0.686075D+01  0.273379D+01
               311           312           313           314           315 
      1  -0.414929D+01 -0.215598D+01  0.570123D+01 -0.219288D+00 -0.798582D+01
      2   0.147410D+01  0.543473D+00 -0.576800D+01  0.194212D+01  0.296398D+01
      3  -0.264882D+01 -0.253481D+01  0.865323D+01 -0.491871D+01 -0.781241D+01
               316           317           318           319           320 
      1   0.454291D+01  0.154701D+01 -0.795251D+01  0.132872D+01  0.408926D+01
      2   0.669154D+01  0.125266D+01 -0.152226D+01 -0.583440D+00  0.871287D+00
      3   0.159532D+02  0.405377D+01 -0.681563D+01  0.298762D+01  0.189720D+01
               321           322           323           324           325 
      1  -0.199426D+01 -0.526429D+01 -0.342343D+00  0.799079D+01  0.123388D+01
      2  -0.456390D+00 -0.502374D+01 -0.194132D+01  0.261251D+01 -0.289456D+01
      3  -0.220603D+01 -0.778769D+01 -0.482735D+01  0.746577D+01 -0.113632D+02
               326           327           328           329           330 
      1   0.469429D+01  0.275043D+01 -0.235290D+01 -0.667515D+01 -0.697321D+01
      2   0.104866D+01  0.690551D+00  0.252602D+01 -0.580295D-02 -0.343588D+00
      3   0.658336D+01 -0.393304D+01  0.120501D+02 -0.601069D+01  0.428214D+01
               331           332           333           334           335 
      1   0.181271D+01 -0.504852D+01  0.890792D+00 -0.211720D+01 -0.187318D+01
      2  -0.194332D+01 -0.156083D+00  0.935475D+00  0.116687D+02  0.520103D+01
      3  -0.314275D+01  0.175421D+01 -0.109951D+01  0.134018D+01 -0.177705D+00
               336           337           338           339           340 
      1  -0.550169D+00 -0.105644D+01 -0.111147D+01  0.122245D+01 -0.188055D+01
      2  -0.818321D+01  0.680811D+01  0.210989D+01 -0.936262D+00 -0.124060D+02
      3  -0.318362D+01  0.256926D+01  0.391884D+00 -0.556857D+00 -0.340600D+01
               341           342           343           344           345 
      1   0.215886D+01  0.223769D+01  0.143326D+01  0.158985D+01  0.473753D+00
      2  -0.327337D+00  0.851898D+01 -0.119555D+00 -0.105528D+01 -0.134456D+01
      3   0.102964D+01  0.200822D+01 -0.136003D+01 -0.167596D+01  0.959102D-01
               346           347           348           349           350 
      1   0.209605D+01  0.891719D+01  0.625905D+01  0.709860D+00  0.756773D+01
      2  -0.225980D+01  0.364424D+01  0.449676D+01 -0.241026D+01  0.490809D+01
      3   0.125713D+01 -0.525228D+01 -0.586688D+01  0.303942D+00 -0.502389D+01
               351           352           353           354           355 
      1   0.527345D+01  0.143634D+01 -0.288285D+01  0.268588D+01 -0.219730D+01
      2   0.707801D+01  0.238953D+01 -0.209280D+01  0.281617D+01  0.232169D+01
      3  -0.539968D+01 -0.170572D+01 -0.567175D+01  0.218204D+01 -0.294430D+01
               356           357           358           359           360 
      1   0.454498D+01 -0.495908D+01  0.183388D+01 -0.317630D+01  0.171517D+01
      2  -0.668788D+00 -0.571844D+01  0.203702D+00 -0.533188D+01  0.117707D+01
      3   0.176287D+02 -0.152969D+01 -0.231673D+00 -0.420335D+01  0.443796D+01
               361           362           363           364           365 
      1  -0.412121D+00 -0.128533D+01 -0.279797D+01  0.144169D+01 -0.154282D+01
      2  -0.915692D+01 -0.587224D+01 -0.712821D+01  0.340057D+00 -0.847313D+01
      3   0.117396D+02  0.470682D+01  0.556022D+01  0.444405D+01  0.763855D+01
               366           367           368           369           370 
      1  -0.303378D+01  0.153350D+01 -0.176191D+01 -0.856887D+01  0.532572D+00
      2  -0.655615D+01 -0.772656D+01 -0.126387D+02 -0.179445D+02 -0.720425D+01
      3   0.556451D+01  0.818668D+01  0.886192D+01  0.109488D+02  0.512338D+01
               371           372           373           374           375 
      1  -0.220609D+01  0.174463D+00 -0.615988D+00  0.245391D+01  0.962780D-01
      2   0.526482D+01  0.111274D+02  0.539970D+01 -0.590036D+01 -0.592882D+01
      3  -0.712768D+01 -0.556148D+01 -0.478472D+01  0.926663D+01  0.634912D+01
               376           377           378           379           380 
      1   0.625093D-02  0.246485D+01 -0.976281D+00 -0.322702D+01  0.335740D+01
      2   0.911415D+01 -0.443390D+01 -0.133918D+02 -0.117371D+02  0.608815D+01
      3  -0.507565D+01  0.533615D+01  0.402222D+01 -0.454453D+01  0.558106D+01
               381           382           383           384           385 
      1  -0.201230D+01  0.399993D+01 -0.625354D+01  0.224769D+01 -0.277450D+01
      2  -0.452759D+01  0.105031D+02 -0.956758D+01  0.112280D+02 -0.604401D+01
      3  -0.339553D+01  0.953530D+01 -0.126831D+02  0.613480D+01 -0.440433D+01
               386           387           388           389           390 
      1   0.499804D+01 -0.376136D+01  0.842818D+00 -0.133828D+00 -0.134684D+01
      2   0.827450D+01 -0.152986D+02 -0.871212D+01 -0.426582D+01  0.763336D+01
      3   0.628882D+01 -0.641761D+01 -0.165793D+02 -0.127647D+02  0.291954D+01
               391           392           393           394           395 
      1   0.132203D+01 -0.260380D+00 -0.166440D+01 -0.510528D+00  0.851218D+00
      2  -0.873198D+01 -0.256439D+01  0.443568D+01  0.863206D+01  0.264100D+01
      3  -0.145544D+02 -0.145090D+02  0.108300D+01  0.710072D+01  0.393363D+01
               396           397           398           399           400 
      1   0.112317D+01 -0.126057D+01  0.813258D+00  0.104980D-01  0.898585D+00
      2  -0.581965D+01  0.823931D+01 -0.403998D+01  0.650122D+01 -0.864717D+01
      3  -0.195130D+01  0.624849D+01 -0.735640D+01  0.521716D+01 -0.110078D+02
               401           402           403           404           405 
      1  -0.120962D+01 -0.849748D+00 -0.255924D+00  0.235487D+01  0.727595D-01
      2   0.624689D+01 -0.115344D+02  0.789219D+01 -0.707573D+01  0.152585D+02
      3   0.155324D+02 -0.790668D+01  0.960948D+01 -0.913294D+01  0.793762D+01
               406           407           408           409           410 
      1   0.649958D+01 -0.296356D+01  0.874260D+00 -0.479293D+00  0.899291D+01
      2  -0.452393D+01  0.172914D+01 -0.151939D+01 -0.139217D+01 -0.102357D+02
      3  -0.713641D+01  0.284726D+01 -0.525077D+01  0.563158D+00 -0.227254D+02
               411           412           413           414           415 
      1  -0.630338D+01  0.105979D+01 -0.508663D+01  0.605430D+01 -0.208645D+01
      2   0.578191D+01  0.126422D+01  0.933828D+01 -0.907338D+01  0.470140D+01
      3   0.681324D+01 -0.926298D+01  0.104805D+02 -0.107421D+02 -0.166444D+01
               416           417           418           419           420 
      1  -0.934071D+00 -0.259262D+01  0.296827D+00  0.127737D+01 -0.151257D+01
      2   0.403005D+01  0.623227D+01  0.214356D+01  0.403862D+01  0.609213D+01
      3  -0.461883D+01 -0.337563D+01 -0.423886D+01 -0.884942D+01 -0.548343D+01
               421           422           423 
      1  -0.184206D+01  0.563979D-01 -0.561379D+01
      2   0.564491D+01  0.971626D+01  0.200259D+02
      3  -0.324373D+01 -0.788131D+01 -0.959817D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.387317D+02  0.857828D+01  0.103249D+02  0.174158D+02  0.170855D+02
      2   0.214197D+02 -0.622889D+01 -0.813652D+00 -0.160381D+02 -0.376383D+02
      3   0.173121D+02 -0.234940D+01 -0.951124D+01 -0.137764D+01  0.205528D+02
      4   0.661604D+00 -0.372078D+01  0.122414D+01 -0.716538D+01 -0.444945D+02
      5   0.726733D+01 -0.164150D+01  0.841003D+01  0.666760D+00  0.305534D+01
      6  -0.186329D+01  0.333358D+00  0.422798D+01  0.351134D+01  0.834090D+01
                 6             7             8             9            10 
      1   0.186545D+01  0.118928D+02  0.330863D+01  0.150595D+02  0.270612D+02
      2   0.547672D+01 -0.635497D+01 -0.168599D+01  0.520730D+01 -0.238502D+02
      3  -0.734217D+01 -0.553779D+01 -0.162264D+01 -0.202668D+02 -0.321097D+01
      4   0.590994D+01  0.982461D+01  0.347045D+01  0.387548D+01  0.308969D+02
      5   0.476302D+01  0.323988D+01 -0.403443D+00  0.185687D+02 -0.185263D+01
      6   0.185099D+01 -0.776322D+00 -0.247889D-01  0.102976D+02 -0.477293D+01
                11            12            13            14            15 
      1   0.108927D+02 -0.424138D+01  0.518672D+02  0.820260D+01 -0.114784D+02
      2   0.123784D+02  0.229885D+01 -0.145725D+02 -0.140624D+02  0.425251D+01
      3  -0.232711D+02  0.194253D+01 -0.372947D+02  0.585976D+01  0.722589D+01
      4   0.134582D+02 -0.831951D+01  0.193159D+02  0.153798D+02 -0.135403D+01
      5  -0.559372D+01  0.978067D+01 -0.245010D+01 -0.303062D+01  0.308093D+01
      6   0.610810D+01 -0.145991D+01 -0.940373D+00 -0.227171D+01  0.652607D+01
                16            17            18            19            20 
      1  -0.243901D+02  0.449069D+01  0.776051D+01  0.650416D+02 -0.172553D+02
      2   0.513695D+01 -0.101411D+02 -0.379007D+01 -0.367345D+02  0.176121D+02
      3   0.192531D+02  0.565039D+01 -0.397044D+01 -0.283071D+02 -0.356851D+00
      4  -0.299360D+01 -0.103129D+02  0.100332D+02 -0.284890D+02  0.117941D+02
      5   0.188693D+02  0.744671D+01 -0.100184D+02  0.431330D+02 -0.918375D+01
      6   0.691682D+01  0.255368D+01 -0.382874D+01 -0.102053D+02  0.562346D+01
                21            22            23            24            25 
      1   0.166157D+02 -0.542651D+02  0.403285D+01  0.116024D+02  0.249256D+02
      2  -0.200834D+02  0.177615D+02  0.106416D+02 -0.814575D+01 -0.459382D+01
      3   0.346776D+01  0.365035D+02 -0.146744D+02 -0.345661D+01 -0.203318D+02
      4  -0.849456D+01  0.321087D+01 -0.135458D+02  0.666193D+01  0.161457D+02
      5   0.154160D+02  0.683450D+01  0.831555D+01 -0.814488D+00 -0.669561D+00
      6  -0.594029D+01  0.763684D+01 -0.265282D+01 -0.201846D+01  0.136711D+01
                26            27            28            29            30 
      1   0.956686D+01 -0.485774D+01 -0.437077D+02  0.527238D+01 -0.227480D+02
      2  -0.953981D+01 -0.953364D+00  0.322248D+02 -0.966476D+01  0.172167D+02
      3  -0.270451D-01  0.581111D+01  0.114829D+02  0.439238D+01  0.553129D+01
      4   0.913871D+00 -0.339599D+01  0.959606D+01  0.285170D+01  0.118892D+02
      5  -0.386174D+00  0.289663D+01 -0.442304D+02  0.117318D+02 -0.363025D+02
      6   0.826813D+00  0.104892D+02  0.109372D+02 -0.225366D+01  0.837875D+01
                31            32            33            34            35 
      1   0.191798D+01  0.998982D+01  0.358405D+01 -0.344494D+02  0.142752D+02
      2   0.627662D+01 -0.228894D+02 -0.366824D+00  0.279138D+02 -0.107156D+02
      3  -0.819460D+01  0.128996D+02 -0.321722D+01  0.653568D+01 -0.355962D+01
      4  -0.102131D+02  0.379044D+02 -0.475867D+01  0.176497D+02  0.589663D+01
      5   0.782113D+01 -0.710664D+01 -0.653283D+01 -0.592244D+02 -0.728364D+00
      6  -0.480716D+01  0.750616D+01  0.105066D+01  0.127489D+02 -0.799090D+00
                36            37            38            39            40 
      1  -0.381748D+02 -0.769856D+02  0.500337D+02  0.135052D+02  0.535968D+02
      2   0.279311D+02  0.343372D+02 -0.228328D+02 -0.376055D+01 -0.260428D+02
      3   0.102437D+02  0.426484D+02 -0.272009D+02 -0.974469D+01 -0.275539D+02
      4   0.229367D+00  0.561186D+02 -0.126086D+02 -0.499157D+01 -0.186954D+02
      5  -0.229780D+02  0.149669D+02 -0.550696D+01  0.249613D+02 -0.293119D+01
      6   0.374556D+01 -0.817083D+01  0.226780D+01 -0.470840D+01  0.123352D+01
                41            42            43            44            45 
      1  -0.128322D+02  0.115319D+01  0.590349D+01  0.237712D+01  0.339041D+02
      2   0.827688D+01  0.681483D+00  0.579282D+00  0.172384D+01 -0.166632D+02
      3   0.455527D+01 -0.183468D+01 -0.648277D+01 -0.410096D+01 -0.172410D+02
      4  -0.148465D+02  0.712589D+01 -0.150992D+01  0.640901D+01  0.168600D+02
      5   0.747528D+01  0.165750D+02  0.330545D+02  0.176745D+02  0.508037D+01
      6   0.493678D+00 -0.364680D+01 -0.274225D+01 -0.263625D+01 -0.501936D+01
                46            47            48            49            50 
      1   0.179677D+02 -0.324295D+02 -0.402930D+00 -0.482471D+02 -0.105691D+02
      2  -0.781904D+01  0.185276D+02 -0.602198D+01  0.264021D+02  0.101629D+02
      3  -0.101487D+02  0.139019D+02  0.642491D+01  0.218450D+02  0.406195D+00
      4  -0.351067D+02 -0.117147D+02  0.372571D+01 -0.186379D+02  0.164299D+02
      5   0.691525D+01  0.616840D+01 -0.405506D+02  0.550090D+01 -0.344854D+01
      6   0.636526D+01  0.313150D-02 -0.103632D+02  0.178267D+01 -0.361484D+01
                51            52            53            54            55 
      1   0.999241D+00  0.115726D+02 -0.225585D+00 -0.551035D+02 -0.431488D+01
      2  -0.452885D+01 -0.150909D+02 -0.463680D+01  0.286393D+02 -0.994053D+01
      3   0.352961D+01  0.351828D+01  0.486238D+01  0.264642D+02  0.142554D+02
      4  -0.355903D+01  0.293443D+01 -0.439494D+01 -0.422410D+02  0.155387D+02
      5  -0.257555D+02 -0.717356D+02 -0.362314D+02  0.132598D+02  0.337300D+01
      6  -0.809066D+01 -0.200513D+02 -0.782736D+01  0.424932D+01 -0.415432D+01
                56            57            58            59            60 
      1   0.909300D+01 -0.237189D+02 -0.423549D+01 -0.182404D+01  0.669094D+01
      2  -0.100181D+02 -0.108775D+02 -0.281586D+01  0.939794D+01  0.171733D+01
      3   0.925095D+00  0.345964D+02  0.705135D+01 -0.757389D+01 -0.840827D+01
      4  -0.258715D+01 -0.609986D+00  0.577954D+01  0.369695D+01 -0.247456D+01
      5  -0.167357D+00  0.258861D+02 -0.921020D+00 -0.146248D+01  0.629799D+01
      6   0.280890D+01  0.745968D+01 -0.356784D+00  0.317887D+01 -0.938374D+01
                61            62            63            64            65 
      1   0.308058D+01 -0.164202D+02 -0.371419D+01 -0.987751D+00 -0.596630D+01
      2  -0.230843D+02  0.104213D+02 -0.295367D+02  0.628839D+01 -0.370231D+01
      3   0.200037D+02  0.599898D+01  0.332509D+02 -0.530064D+01  0.966861D+01
      4  -0.130707D+02  0.428377D+01  0.101506D+00 -0.239667D+00  0.101716D+02
      5   0.293969D+02 -0.636792D+00  0.318963D+02  0.541618D+01 -0.312428D+01
      6  -0.548117D+01 -0.548862D+01  0.544628D+00 -0.109239D+01 -0.823769D+00
                66            67            68            69            70 
      1   0.617708D+01 -0.661557D+01  0.791861D+01 -0.277010D+02 -0.170988D+01
      2  -0.783972D+01 -0.870517D+00 -0.194184D+02 -0.443335D+01 -0.526263D+01
      3   0.166264D+01  0.748608D+01  0.114998D+02  0.321343D+02  0.697250D+01
      4  -0.354056D+01  0.432259D+01  0.853730D+00  0.983741D+00 -0.460876D+01
      5   0.378513D+01 -0.514089D+00  0.940807D+00  0.193059D+02  0.268915D+01
      6   0.136342D+02  0.290116D+01  0.628223D+01  0.161193D+02  0.413223D+01
                71            72            73            74            75 
      1  -0.237769D+02 -0.221697D+02 -0.383720D+01 -0.370441D+01 -0.393513D+01
      2   0.129149D+02 -0.166480D+02  0.129808D+02 -0.878314D+01  0.154754D+01
      3   0.108620D+02  0.388177D+02 -0.914365D+01  0.124876D+02  0.238758D+01
      4   0.934983D+01  0.875242D+01 -0.924513D+01 -0.490618D+00  0.167911D+02
      5   0.764531D+01  0.228451D+02  0.577536D+01  0.134007D+02 -0.113872D+01
      6   0.162699D+02  0.208503D+02  0.124571D+02  0.607723D+01  0.371652D+01
                76            77            78            79            80 
      1   0.137927D+02 -0.376955D+02 -0.932676D+01  0.117805D+01  0.515923D+01
      2  -0.657707D+01  0.553559D+02 -0.180696D+01 -0.872735D+00  0.119819D+00
      3  -0.721560D+01 -0.176604D+02  0.111337D+02 -0.305317D+00 -0.527905D+01
      4   0.695224D+01  0.249473D+02  0.447373D+01  0.813899D+01  0.764804D+01
      5   0.139384D+01  0.582748D+01  0.510101D+01 -0.251389D+01  0.181066D+01
      6   0.253289D+01  0.227346D+02  0.112639D+02  0.620272D+01  0.924592D+01
                81            82            83            84            85 
      1  -0.909308D+01  0.900040D+01  0.188368D+02  0.183036D+00  0.134838D+02
      2   0.113822D+02 -0.147628D+02 -0.426243D+02 -0.684803D+01 -0.260679D+02
      3  -0.228912D+01  0.576238D+01  0.237875D+02  0.666499D+01  0.125841D+02
      4  -0.235464D+01 -0.102695D+01 -0.231833D+02 -0.136837D+02 -0.151820D+02
      5   0.572971D+01  0.511562D+00 -0.808526D+01 -0.474614D+01 -0.347556D+01
      6  -0.754805D+00 -0.168883D+02 -0.923018D+01  0.156331D+02 -0.325858D+01
                86            87            88            89            90 
      1   0.324160D+02  0.644219D+01 -0.217927D+01 -0.638387D+01  0.448396D+01
      2  -0.635401D+02 -0.127667D+02 -0.173887D+01  0.703948D+01 -0.491883D+01
      3   0.311241D+02  0.632453D+01  0.391814D+01 -0.655605D+00  0.434875D+00
      4  -0.397556D+02 -0.207664D+01 -0.854308D+01 -0.185952D+01  0.103247D+02
      5  -0.224107D+01 -0.846144D-01 -0.431823D+01  0.195330D+01  0.293708D+01
      6  -0.250529D+02 -0.488363D+01  0.177515D+02 -0.112029D+02  0.249849D+00
                91            92            93            94            95 
      1   0.837951D+01 -0.198288D+02  0.140549D+01 -0.138047D+02  0.346277D+02
      2  -0.132998D+02  0.424334D+02 -0.819953D+01  0.244711D+02 -0.635577D+02
      3   0.492026D+01 -0.226046D+02  0.679404D+01 -0.106664D+02  0.289301D+02
      4  -0.910671D+00 -0.209390D+02  0.134904D+02 -0.130688D+02  0.373362D+02
      5   0.121182D+01  0.794566D+01 -0.525830D+01  0.327160D+01 -0.283167D+01
      6   0.166496D+02 -0.980145D+01 -0.150080D+02 -0.434166D+01  0.264921D+02
                96            97            98            99           100 
      1  -0.742103D+01  0.884898D-01  0.547652D+01  0.412911D+01 -0.102441D+02
      2   0.141618D+02 -0.412174D+01 -0.572691D+01 -0.478687D+01  0.141257D+02
      3  -0.674078D+01  0.403325D+01  0.250389D+00  0.657757D+00 -0.388164D+01
      4  -0.325593D+01  0.788915D+01 -0.319714D+01 -0.103006D+02  0.152008D+02
      5   0.429488D+00 -0.470451D+01 -0.197721D+01  0.350612D+01  0.318645D+01
      6  -0.564010D+01 -0.172040D+02 -0.112826D+02 -0.121656D+00 -0.122339D+02
               101           102           103           104           105 
      1   0.520914D+01 -0.284512D+01 -0.970773D+01 -0.396359D+02  0.940976D+01
      2   0.793842D+01  0.255953D+01  0.529355D+01  0.547267D+02  0.936096D+00
      3  -0.131476D+02  0.285586D+00  0.441417D+01 -0.150909D+02 -0.103459D+02
      4  -0.293202D+01 -0.156810D+02  0.440602D+01 -0.199767D+02  0.441520D+01
      5  -0.122307D+02  0.275885D+00 -0.152870D+00  0.515571D+01 -0.339613D+01
      6   0.462819D+01 -0.393421D+01  0.102991D+01 -0.231794D+02  0.101621D+02
               106           107           108           109           110 
      1  -0.163273D+01 -0.334907D+01 -0.989816D+01  0.200904D+02 -0.120895D+02
      2   0.408659D+00 -0.936911D+00  0.877513D+01 -0.148499D+02 -0.142576D+02
      3   0.122407D+01  0.428598D+01  0.112304D+01 -0.524047D+01  0.263470D+02
      4  -0.723751D+01  0.686766D+01  0.209074D+01 -0.361857D+02  0.187670D+02
      5  -0.118976D+01 -0.174925D+01  0.457449D+01  0.461901D+01  0.484740D+01
      6  -0.619037D+01  0.973701D+01 -0.105790D+01  0.754717D+01  0.715259D+01
               111           112           113           114           115 
      1  -0.261632D+01 -0.475020D+02  0.128277D+02  0.730379D+01 -0.338711D+02
      2  -0.307133D+00  0.686581D+01 -0.143155D+02 -0.814531D+00  0.482999D+01
      3   0.292345D+01  0.406362D+02  0.148784D+01 -0.648926D+01  0.290411D+02
      4   0.818821D+01  0.253156D+02 -0.190063D+02 -0.232516D+01  0.108060D+02
      5   0.465684D+01 -0.244399D+01 -0.301118D+01 -0.576567D+00  0.148289D+02
      6   0.212021D+01 -0.143640D+01  0.252253D+01  0.633805D+01 -0.255257D+01
               116           117           118           119           120 
      1  -0.268712D+01  0.532129D+01  0.691602D+02  0.154523D+02  0.133213D+02
      2   0.110557D+02  0.910487D+00 -0.400512D+02 -0.148333D+02 -0.188743D+02
      3  -0.836863D+01 -0.623178D+01 -0.291090D+02 -0.618964D+00  0.555300D+01
      4  -0.140156D+02 -0.109364D+02  0.266679D+02  0.132466D+02  0.622346D+01
      5  -0.679237D+01 -0.552561D+01  0.371691D+02  0.657725D+01  0.188873D+02
      6   0.448117D+01  0.137675D+01  0.637277D+01  0.675940D+01  0.655965D+01
               121           122           123           124           125 
      1   0.425215D+02  0.570456D+01 -0.117281D+02  0.263828D+02 -0.108818D+02
      2  -0.744042D+01  0.746487D+01  0.682957D+01 -0.451699D+01  0.894709D+01
      3  -0.350811D+02 -0.131694D+02  0.489856D+01 -0.218658D+02  0.193468D+01
      4   0.302051D+01  0.139978D+02  0.621858D+01 -0.183133D+02  0.445844D+01
      5  -0.910578D+01  0.675881D+01  0.348908D+00  0.385850D+01  0.269277D+01
      6   0.824249D+01  0.788810D+00 -0.897891D+00 -0.287630D+01  0.367589D+00
               126           127           128           129           130 
      1  -0.486452D+01 -0.347422D+01 -0.115784D+02 -0.275413D+02  0.195692D+01
      2  -0.265497D+01 -0.498298D+01  0.115775D+02 -0.104217D+02  0.483470D+01
      3   0.751949D+01  0.845720D+01  0.864773D-03  0.379629D+02 -0.679162D+01
      4   0.607862D+01 -0.220970D+02 -0.124191D+01 -0.216940D+00  0.440382D+01
      5   0.621840D+01  0.143197D+01 -0.636277D+00  0.203781D+02  0.167826D+01
      6  -0.618424D+01  0.275103D+01  0.173218D+01 -0.812601D+01  0.190608D+00
               131           132           133           134           135 
      1  -0.230105D+01 -0.508817D+01  0.863456D+01  0.167559D+02 -0.588983D+01
      2   0.912384D+01 -0.196369D+01 -0.277613D+02 -0.102561D+02 -0.308755D+02
      3  -0.682279D+01  0.705186D+01  0.191268D+02 -0.649982D+01  0.367653D+02
      4  -0.227953D+01 -0.147214D+01  0.116738D+02  0.289854D+01 -0.133038D+01
      5  -0.932194D+00 -0.767320D+01  0.287015D+02 -0.273997D+00  0.353764D+02
      6  -0.395613D+01 -0.943148D+01  0.459121D+01 -0.490941D+01 -0.186931D+01
               136           137           138           139           140 
      1  -0.228290D+01  0.564621D+01  0.839635D+01  0.467100D+01  0.104092D+02
      2   0.625034D+01  0.146626D+01 -0.771940D+01 -0.107749D+01 -0.197648D+02
      3  -0.396744D+01 -0.711247D+01 -0.676951D+00 -0.359352D+01  0.935553D+01
      4   0.204000D+01  0.102876D+02  0.380632D+01  0.838037D+01 -0.273083D+01
      5   0.518638D+01  0.289749D+01  0.265619D+01 -0.571639D+00  0.113509D+01
      6   0.825506D+00 -0.150442D+01 -0.112882D+02  0.366650D+01 -0.508696D+01
               141           142           143           144           145 
      1   0.286033D+02 -0.122710D+01  0.241938D+02 -0.220437D+02 -0.215497D+02
      2   0.657263D+01 -0.542202D+01 -0.128990D+02 -0.152108D+02  0.526816D+00
      3  -0.351759D+02  0.664912D+01 -0.112948D+02  0.372545D+02  0.210229D+02
      4   0.140095D+00  0.673596D+01  0.765970D+01 -0.655790D+01  0.252232D+02
      5  -0.158592D+02 -0.204009D+00 -0.644843D+01  0.208769D+02  0.169649D+01
      6   0.171907D+02 -0.328251D+01  0.159348D+02 -0.196852D+02 -0.484199D+00
               146           147           148           149           150 
      1   0.483411D+01  0.110160D+02  0.123428D+02 -0.198911D+02  0.685453D+01
      2   0.172125D+02 -0.607793D+01  0.196041D+02 -0.132910D+02 -0.423184D+01
      3  -0.220466D+02 -0.493806D+01 -0.319469D+02  0.331821D+02 -0.262268D+01
      4  -0.323284D+02  0.627286D+01 -0.581207D+02  0.494707D+02 -0.133520D+00
      5   0.106505D+02  0.394879D+01  0.114946D+02 -0.184045D+01  0.389465D+01
      6  -0.621339D+01 -0.780734D+01  0.225652D+00  0.646787D+00 -0.704537D+01
               151           152           153           154           155 
      1   0.152708D+02  0.192687D+02  0.154945D+02 -0.510274D+01  0.222312D+02
      2  -0.134801D+02 -0.219251D+01 -0.761078D+01  0.458509D+01 -0.204900D+02
      3  -0.179062D+01 -0.170762D+02 -0.788367D+01  0.517645D+00 -0.174115D+01
      4   0.170968D+02 -0.107468D+02  0.711899D+01  0.288625D+02 -0.257905D+01
      5   0.228909D+01  0.918192D+01  0.439133D+01  0.307596D+02 -0.338676D+02
      6  -0.366913D+01 -0.889170D+01 -0.947482D+01 -0.107595D+02  0.308379D+01
               156           157           158           159           160 
      1   0.201002D+02  0.285615D+02  0.579270D+01 -0.406944D+02  0.163698D+02
      2  -0.101190D+02 -0.239513D+02  0.216212D+01  0.185369D+02 -0.742252D+01
      3  -0.998125D+01 -0.461022D+01 -0.795482D+01  0.221575D+02 -0.894728D+01
      4  -0.334366D+02 -0.319951D+01 -0.212376D+01  0.184605D+02 -0.405080D+02
      5  -0.223870D+02 -0.465849D+02  0.156272D+02 -0.238864D+00 -0.224745D+02
      6   0.920799D+01  0.660919D+01 -0.130527D+01 -0.551016D+01  0.110221D+02
               161           162           163           164           165 
      1  -0.363362D+02 -0.143269D+02 -0.558250D+02 -0.325038D+02 -0.502668D+01
      2   0.146286D+02  0.110417D+02  0.237976D+02  0.153980D+02  0.474909D+01
      3   0.217076D+02  0.328515D+01  0.320274D+02  0.171057D+02  0.277591D+00
      4   0.166339D+02 -0.153844D+01 -0.366901D+02 -0.204934D+02  0.312842D+02
      5  -0.164246D+01  0.190501D+02 -0.431572D+01  0.307492D+02  0.197718D+01
      6  -0.422094D+01 -0.119077D+01  0.777808D+01  0.655494D+00  0.280650D+01
               166           167           168           169           170 
      1  -0.506458D+02 -0.313880D+02  0.437465D+02 -0.230353D+01  0.433300D+02
      2   0.230728D+02  0.155252D+02 -0.217646D+02  0.229071D+01 -0.232714D+02
      3   0.275730D+02  0.158628D+02 -0.219818D+02  0.128237D-01 -0.200586D+02
      4  -0.379250D+02  0.345900D+01 -0.104050D+02  0.480407D+02 -0.763811D+01
      5   0.470783D+02 -0.106408D+02  0.213273D+02 -0.111629D+02  0.200153D+02
      6  -0.305261D+01  0.456227D+01 -0.300129D+01  0.393740D+01 -0.313033D+01
               171           172           173           174           175 
      1  -0.663422D+01 -0.203251D+02  0.415065D+01  0.344125D+01 -0.175952D+01
      2   0.314002D+01  0.134341D+02  0.990339D+00 -0.186602D+01 -0.294332D+01
      3   0.349420D+01  0.689106D+01 -0.514099D+01 -0.157523D+01  0.470283D+01
      4   0.191378D+02 -0.163604D+01 -0.657367D+01 -0.200602D+02 -0.223545D+02
      5  -0.738743D+01 -0.903953D+01 -0.204916D+02 -0.220549D+02 -0.272267D+02
      6   0.480036D+01 -0.601086D+01 -0.679932D+01 -0.712936D+01 -0.869053D+01
               176           177           178           179           180 
      1  -0.457443D+01 -0.214630D+02  0.133278D+02 -0.164703D+02 -0.932846D+01
      2  -0.438972D+01  0.176291D+02  0.230052D+01  0.194497D+02  0.817925D+01
      3   0.896415D+01  0.383388D+01 -0.156283D+02 -0.297935D+01  0.114921D+01
      4  -0.257781D+02 -0.133606D+01 -0.210289D+02  0.284678D+01 -0.282399D+02
      5  -0.117445D+01 -0.187315D+02 -0.316134D+02 -0.298455D+02 -0.321089D+02
      6  -0.278721D+01 -0.724039D+01 -0.151446D+02 -0.101244D+02 -0.144774D+02
               181           182           183           184           185 
      1  -0.642643D+02  0.102192D+01 -0.140356D+02  0.210818D+01  0.139446D+02
      2   0.455977D+02 -0.438917D+00  0.314927D+02 -0.304594D+00 -0.185729D+02
      3   0.186666D+02 -0.583006D+00 -0.174571D+02 -0.180359D+01  0.462825D+01
      4   0.145502D+01 -0.163481D+02  0.399942D+00 -0.129605D+02 -0.174680D+01
      5  -0.362953D+02  0.348649D+00 -0.385501D+02 -0.545501D+00 -0.693798D+01
      6  -0.273875D-01 -0.687416D+00 -0.805462D+00 -0.934712D+01  0.875313D-01
               186           187           188           189           190 
      1   0.495696D-01 -0.240920D+02  0.464027D+00  0.177912D+02  0.305439D+02
      2  -0.100189D+01  0.385265D+02  0.383595D-01  0.217201D+02 -0.121376D+02
      3   0.952323D+00 -0.144345D+02 -0.502386D+00 -0.395113D+02 -0.184063D+02
      4  -0.420448D+01  0.187285D+01 -0.124898D+02 -0.435027D+00 -0.245032D+02
      5  -0.145250D+01 -0.248642D+02  0.496896D+00 -0.338081D+02 -0.138991D+02
      6  -0.215812D+02 -0.400990D+00 -0.915923D+01 -0.193971D+00  0.113834D+02
               191           192           193           194           195 
      1  -0.847675D+00 -0.117669D+01 -0.203737D+01 -0.501336D+02 -0.183584D+02
      2  -0.597500D+01  0.256071D+01 -0.100782D+02  0.800108D+02  0.162174D+02
      3   0.682267D+01 -0.138402D+01  0.121155D+02 -0.298773D+02  0.214100D+01
      4   0.274138D+02  0.115136D+02  0.266909D+02 -0.295825D+02 -0.111585D+02
      5   0.111581D+02  0.205553D+02  0.362985D+01 -0.124008D+02 -0.711634D+01
      6  -0.524715D+01 -0.841993D+01 -0.900012D+01  0.351854D+02  0.330634D+02
               196           197           198           199           200 
      1   0.384425D+00 -0.196662D+02 -0.263530D+02  0.335824D+02 -0.619282D+00
      2   0.493355D+01  0.901488D+01 -0.279278D+01 -0.166939D+02  0.727002D+01
      3  -0.531798D+01  0.106513D+02  0.291457D+02 -0.168884D+02 -0.665073D+01
      4   0.821994D+01 -0.695596D+01 -0.135468D+02  0.222853D+02  0.247655D+02
      5   0.212195D+02 -0.131710D+02 -0.190679D+02 -0.169831D+02 -0.101995D+02
      6  -0.131495D+02  0.352076D+02  0.372540D+02 -0.105032D+02 -0.603902D+01
               201           202           203           204           205 
      1  -0.123558D+01 -0.218968D+01 -0.425189D+02  0.189518D+02  0.142408D+01
      2   0.441930D+01  0.113773D+02  0.652864D+02 -0.156652D+02  0.638976D+01
      3  -0.318372D+01 -0.918765D+01 -0.227674D+02 -0.328666D+01 -0.781384D+01
      4  -0.109528D+02  0.262150D+02  0.300184D+02 -0.135724D+02 -0.801957D+01
      5   0.245019D+02 -0.424779D+01 -0.146808D+02  0.874322D+01  0.249848D+02
      6   0.895221D+01 -0.111855D+02 -0.360734D+02  0.333725D+02  0.141506D+02
               206           207           208           209           210 
      1   0.212791D+02 -0.279886D+02 -0.780683D+01  0.639099D+01  0.186765D+02
      2  -0.967614D+01 -0.912409D+01 -0.779677D+01  0.125249D+01  0.100924D+02
      3  -0.116030D+02  0.371127D+02  0.156036D+02 -0.764348D+01 -0.287689D+02
      4  -0.848719D+01  0.144036D+02 -0.356501D+01  0.169055D+01  0.316109D+01
      5   0.138340D+02 -0.253101D+02 -0.105280D+02  0.306662D+01  0.111669D+02
      6   0.333245D+02 -0.386318D+02  0.833779D+01 -0.708537D+01 -0.138660D+02
               211           212           213           214           215 
      1   0.282329D+01 -0.345617D+01 -0.774212D+00  0.979373D+01 -0.221387D+01
      2  -0.107945D+01  0.448639D+00  0.272388D+01  0.486357D+01 -0.861730D+00
      3  -0.174385D+01  0.300754D+01 -0.194967D+01 -0.146573D+02  0.307560D+01
      4   0.122790D+01 -0.198403D+01 -0.127737D+01  0.145772D+01 -0.189432D+01
      5   0.263469D+01 -0.252077D+01 -0.338249D+01  0.825306D+01 -0.261998D+01
      6  -0.404876D+01  0.441833D+01  0.493728D+01 -0.519378D+01  0.453453D+01
               216           217           218           219           220 
      1  -0.165832D+02  0.327560D+00 -0.181596D+01  0.465418D+01  0.180875D+01
      2  -0.111503D+02 -0.104791D+00 -0.102523D+01  0.358810D+01  0.286233D+01
      3   0.277334D+02 -0.222769D+00  0.284119D+01 -0.824228D+01 -0.467109D+01
      4  -0.265181D+01 -0.211531D+01  0.178742D+01 -0.165605D+01  0.518518D+01
      5  -0.117036D+02  0.902368D+00 -0.257096D+01  0.138609D+01 -0.810619D+01
      6   0.760358D+01 -0.273916D+01  0.110265D+01  0.896448D+00  0.624816D+01
               221           222           223           224           225 
      1  -0.156831D+02  0.187827D+02  0.247238D+00  0.122006D+02 -0.207090D+02
      2   0.273950D+00  0.561506D+01 -0.578301D+00  0.239443D+01 -0.624947D+01
      3   0.154092D+02 -0.243977D+02  0.331063D+00 -0.145950D+02  0.269585D+02
      4  -0.105135D+02  0.108009D+02 -0.252536D+01  0.425490D+01 -0.602534D+01
      5   0.123089D+02 -0.166922D+02  0.282353D+01 -0.733329D+01  0.106202D+02
      6  -0.224798D+02  0.253623D+02 -0.226088D+01  0.156648D+02 -0.208888D+02
               226           227           228           229           230 
      1  -0.301969D+00  0.645956D+00 -0.720655D+01 -0.111807D+02 -0.561348D+01
      2  -0.228862D+01 -0.828821D+00  0.152191D+01  0.809370D+01  0.583233D+01
      3   0.259059D+01  0.182865D+00  0.568464D+01  0.308698D+01 -0.218850D+00
      4  -0.351230D+01 -0.124798D+01 -0.347761D+00 -0.760197D+00  0.470945D+01
      5  -0.231004D+01  0.180070D+01 -0.913416D+00  0.123134D+01 -0.324498D+01
      6  -0.110338D+00  0.112822D+01 -0.317229D+01 -0.482155D+00 -0.286844D+01
               231           232           233           234           235 
      1   0.125957D+01 -0.200827D+02  0.457404D+00 -0.137784D+02  0.489281D+00
      2  -0.500525D+01  0.106826D+02  0.177254D-01 -0.112591D+02  0.611811D+01
      3   0.374568D+01  0.940006D+01 -0.475129D+00  0.250376D+02 -0.660739D+01
      4  -0.414929D+01 -0.106404D+02 -0.649371D+01  0.384661D+01  0.855939D+01
      5  -0.325578D+01  0.115578D+02  0.593558D+01 -0.290761D+02 -0.154569D+00
      6   0.182292D+01  0.214372D+01  0.662771D+01 -0.158857D+02  0.272873D+00
               236           237           238           239           240 
      1   0.448883D+01  0.937662D+00  0.940247D+01 -0.247776D+02  0.828652D+00
      2   0.624006D+00 -0.976769D+00  0.565836D+01  0.533306D+02 -0.479130D+01
      3  -0.511284D+01  0.391070D-01 -0.150608D+02 -0.285530D+02  0.396265D+01
      4   0.128391D+02 -0.469085D+00  0.236369D+02  0.591994D+02 -0.877416D+01
      5  -0.749528D+00 -0.475570D+00 -0.617850D+01 -0.512719D+01  0.473929D+01
      6  -0.127021D+01 -0.397383D+00 -0.459332D+01 -0.125638D+02  0.687011D+01
               241           242           243           244           245 
      1   0.122402D+01  0.210804D+00 -0.535984D+01  0.559907D+02  0.191579D+02
      2  -0.617058D+00  0.177987D+01  0.385206D+01 -0.329089D+02 -0.986687D+01
      3  -0.606963D+00 -0.199068D+01  0.150778D+01 -0.230817D+02 -0.929105D+01
      4   0.163408D+00  0.538027D+00  0.562805D+01  0.314486D+02  0.179352D+02
      5   0.167135D+01  0.607322D+01 -0.218847D+01 -0.435006D+02 -0.132517D+02
      6   0.144819D+01  0.773664D+01 -0.236833D+01 -0.100695D+02 -0.486702D+01
               246           247           248           249           250 
      1  -0.288404D+02  0.193068D+02  0.111446D+02 -0.643465D+01 -0.467658D+02
      2   0.194023D+02 -0.824903D+01 -0.493974D+01  0.295793D+01  0.335373D+02
      3   0.943812D+01 -0.110578D+02 -0.620490D+01  0.347672D+01  0.132285D+02
      4  -0.153958D+02  0.248081D+02  0.154675D+02 -0.160552D+02 -0.275070D+02
      5   0.330415D+02 -0.151323D+02 -0.154169D+02  0.152677D+02  0.589363D+02
      6   0.760030D+01 -0.795888D+01 -0.687799D+01  0.913418D+01  0.149791D+02
               251           252           253           254           255 
      1  -0.113403D+02  0.317801D+02  0.447773D+02  0.182467D+02  0.179591D+02
      2   0.770415D+01 -0.284093D+02 -0.202049D+02 -0.711144D+01 -0.801151D+01
      3   0.363610D+01 -0.337081D+01 -0.245724D+02 -0.111352D+02 -0.994756D+01
      4  -0.205608D+02  0.276365D+02  0.276922D+02  0.174898D+02  0.967560D+01
      5   0.243552D+02 -0.545149D+02  0.205070D+02  0.696072D+01  0.185891D+02
      6   0.102859D+02 -0.150808D+02  0.495135D+01  0.208059D+01  0.458363D+01
               256           257           258           259           260 
      1   0.233196D+02  0.124841D+02  0.472343D+01  0.417387D+02  0.127362D+02
      2  -0.776824D+01 -0.139620D+01  0.928557D+00 -0.185173D+02 -0.279666D+01
      3  -0.155514D+02 -0.110879D+02 -0.565198D+01 -0.232214D+02 -0.993957D+01
      4   0.249585D+02  0.188070D+02  0.130674D+02  0.249933D+02  0.227755D+02
      5   0.780846D+01  0.117348D+02  0.115878D+02  0.337564D+02  0.188269D+02
      6   0.400692D+01  0.516893D+01  0.599268D+01  0.100314D+02  0.641102D+01
               261           262           263           264           265 
      1   0.245021D+02 -0.168178D+02 -0.116692D+02 -0.964591D+01 -0.158275D+02
      2  -0.120213D+02  0.899069D+01  0.490235D+01  0.306009D+01  0.825935D+01
      3  -0.124808D+02  0.782709D+01  0.676684D+01  0.658583D+01  0.756818D+01
      4   0.221818D+02 -0.801263D+01 -0.256540D+01 -0.184149D+00  0.425734D+01
      5   0.313639D+02 -0.573656D+01 -0.445525D+00 -0.912888D+01  0.231639D+01
      6   0.909160D+01  0.420473D+01  0.865538D+00  0.288523D+01  0.150748D+01
               266           267           268           269           270 
      1  -0.395681D+01 -0.215565D+01 -0.155841D+02 -0.711993D+01 -0.148810D+02
      2   0.224380D+01  0.138105D+01  0.680216D+01  0.178327D+01 -0.190123D+01
      3   0.171301D+01  0.774601D+00  0.878194D+01  0.533666D+01  0.167822D+02
      4  -0.580599D+01 -0.715091D+01  0.771045D+00 -0.131216D+02 -0.114009D+02
      5  -0.707436D+01 -0.955162D+01  0.903195D+00 -0.124576D+02 -0.286699D+02
      6   0.444102D+01  0.677743D+01  0.701511D+00  0.748901D+01  0.105049D+02
               271           272           273           274           275 
      1   0.143483D+03 -0.428926D+02 -0.156746D+02 -0.405791D+02  0.261987D+02
      2  -0.694102D+02  0.185040D+02  0.868246D+01  0.151355D+02 -0.850798D+01
      3  -0.740733D+02  0.243886D+02  0.699212D+01  0.254437D+02 -0.176907D+02
      4  -0.586277D+02  0.320059D+02  0.599011D+01  0.386197D+02 -0.234295D+02
      5  -0.230533D+02  0.638027D+01  0.121754D+02  0.781485D+01 -0.485660D+01
      6   0.742083D+01 -0.397565D+01 -0.275394D+01 -0.460760D+01  0.288008D+01
               276           277           278           279           280 
      1   0.437538D+01 -0.442707D+01  0.116041D+01  0.113100D+02  0.683502D+02
      2  -0.220479D+01  0.324227D+01 -0.149112D+01 -0.650613D+01 -0.441676D+02
      3  -0.217059D+01  0.118481D+01  0.330703D+00 -0.480387D+01 -0.241827D+02
      4  -0.454449D+01  0.290555D+01 -0.173492D+01 -0.865575D+01 -0.187464D+02
      5  -0.664133D+01  0.169961D+02 -0.878180D+01 -0.450682D+01  0.527501D+02
      6   0.291587D+01 -0.387755D+01  0.298734D+01  0.194059D+01 -0.982707D+01
               281           282           283           284           285 
      1  -0.828730D+01  0.285133D+02  0.620950D+01  0.475693D+01  0.927076D-02
      2   0.494425D+01 -0.210954D+02 -0.670084D+01 -0.988594D+00 -0.278070D+01
      3   0.334306D+01 -0.741794D+01  0.491335D+00 -0.376834D+01  0.277143D+01
      4   0.100436D+02 -0.108957D+02  0.127256D+02 -0.774923D+01  0.784299D+01
      5  -0.102502D+02  0.393593D+02  0.403274D-01  0.900032D+01  0.273519D+01
      6   0.429600D+01 -0.825035D+01  0.438299D+01 -0.230808D+01  0.428216D+01
               286           287           288           289           290 
      1   0.469875D+02 -0.109466D+02  0.251534D+02 -0.210209D+01 -0.916421D+01
      2  -0.362246D+02  0.721790D+01 -0.281520D+02  0.296738D+01  0.630496D+01
      3  -0.107629D+02  0.372869D+01  0.299865D+01 -0.865294D+00  0.285925D+01
      4  -0.220502D+02  0.104725D+02 -0.127410D+02 -0.643779D+01  0.111557D+01
      5   0.583158D+02 -0.127677D+02  0.534227D+02  0.298632D+01 -0.308027D-02
      6  -0.136846D+02  0.716683D+01 -0.116992D+02  0.114819D+00 -0.268108D+01
               291           292           293           294           295 
      1   0.296838D+01 -0.151125D+02 -0.152359D+02  0.206027D+01  0.981360D+00
      2  -0.187967D+01 -0.149068D+00  0.357132D+02 -0.323219D+01 -0.238217D+01
      3  -0.108871D+01  0.152616D+02 -0.204773D+02  0.117191D+01  0.140081D+01
      4   0.307689D+00  0.210731D+02 -0.548000D+02  0.728087D+01 -0.248715D+01
      5   0.330740D+01 -0.406521D+01  0.968273D+01 -0.758107D+01  0.105965D+02
      6  -0.774477D-01  0.385236D+01 -0.122722D+02  0.666876D+01 -0.208073D+01
               296           297           298           299           300 
      1  -0.111064D+00  0.304148D+01 -0.533114D+01 -0.232722D+02 -0.467992D+01
      2   0.158684D+01 -0.776885D+00  0.182621D+02  0.486912D+02  0.726385D+01
      3  -0.147577D+01 -0.226460D+01 -0.129309D+02 -0.254190D+02 -0.258393D+01
      4  -0.117334D+01 -0.531531D+01  0.225869D+02  0.346400D+02  0.789654D+01
      5  -0.552543D+01  0.282267D+01  0.490880D+01  0.541460D+01  0.486294D+01
      6   0.512490D+01 -0.242269D+01  0.964421D+01  0.162450D+02  0.631201D+01
               301           302           303           304           305 
      1  -0.119896D+02 -0.483995D+02 -0.855844D+01 -0.135566D+01 -0.365484D+01
      2   0.251674D+02  0.911159D+02  0.139695D+02  0.194164D+01  0.270666D+01
      3  -0.131778D+02 -0.427164D+02 -0.541110D+01 -0.585973D+00  0.948171D+00
      4   0.205889D+02  0.397893D+02  0.653486D+01  0.377180D+01  0.451088D+01
      5   0.322641D+01  0.547191D+01  0.223551D+01  0.425137D+01  0.383257D+01
      6   0.795004D+01  0.266115D+02  0.122521D+02  0.399097D+01  0.168546D+02
               306           307           308           309           310 
      1  -0.726742D+01 -0.439215D+00  0.771033D+01  0.486934D+01  0.315593D+01
      2   0.978655D+01  0.260439D+01 -0.845114D+01 -0.347752D+01 -0.363097D+01
      3  -0.251913D+01 -0.216517D+01  0.740811D+00 -0.139182D+01  0.475038D+00
      4   0.533899D+01 -0.149307D+02  0.113328D+02  0.954295D+01  0.656372D+01
      5   0.289509D+01 -0.766474D+01  0.492377D+01  0.585233D+01  0.162440D+01
      6   0.667693D+01  0.135957D+02 -0.107390D+02 -0.154896D+02 -0.484998D+01
               311           312           313           314           315 
      1  -0.807948D+01 -0.584258D+01  0.471010D+01 -0.111921D+02 -0.103752D+02
      2   0.121751D+02  0.834328D+01 -0.183453D+01  0.112594D+02  0.324724D+01
      3  -0.409561D+01 -0.250069D+01 -0.287557D+01 -0.672648D-01  0.712795D+01
      4  -0.489938D+01 -0.312149D+01  0.932497D+01 -0.477341D+01 -0.857955D+01
      5  -0.242024D+01 -0.206156D+01  0.597603D+01 -0.348299D+01 -0.586014D+01
      6   0.121128D+02  0.939837D+01 -0.123440D+02  0.161164D+02  0.211609D+02
               316           317           318           319           320 
      1  -0.233788D+00 -0.684012D+01  0.480034D+01 -0.247112D+01 -0.748893D+01
      2   0.212023D+01  0.731685D+01 -0.285255D+01  0.298163D+01  0.110810D+02
      3  -0.188645D+01 -0.476724D+00 -0.194779D+01 -0.510512D+00 -0.359207D+01
      4   0.150533D+02  0.110085D+02 -0.100084D+02  0.606628D+01  0.465257D+01
      5  -0.822441D+01 -0.525760D+01  0.661956D+01 -0.161465D+01 -0.247864D+01
      6  -0.137793D+02 -0.106362D+02  0.159974D+02 -0.455222D+01 -0.113574D+02
               321           322           323           324           325 
      1   0.545313D+01  0.474318D+01  0.104039D+02 -0.997522D+01 -0.539361D+01
      2  -0.795361D+01 -0.174223D+01 -0.101917D+02  0.240618D+01  0.170339D+02
      3   0.250048D+01 -0.300095D+01 -0.212205D+00  0.756904D+01 -0.116403D+02
      4  -0.304929D+01 -0.928365D+01 -0.505827D+01  0.886446D+01 -0.208683D+02
      5   0.198296D+01  0.642922D+01  0.384729D+01 -0.670184D+01  0.496045D+01
      6   0.884951D+01  0.123407D+02  0.155942D+02 -0.210755D+02 -0.977118D+01
               326           327           328           329           330 
      1   0.240801D+02 -0.518291D+01  0.115501D+02 -0.497001D+02  0.934825D+01
      2  -0.481791D+02  0.789051D+01 -0.233488D+02  0.909693D+02 -0.150523D+02
      3   0.240990D+02 -0.270760D+01  0.117986D+02 -0.412692D+02  0.570407D+01
      4   0.329946D+02 -0.818211D+01  0.191171D+02 -0.369958D+02  0.674065D+01
      5  -0.569213D+01  0.488037D+01 -0.342971D+01  0.553619D+01 -0.225068D+01
      6   0.171123D+02 -0.675340D+01  0.806094D+01 -0.283649D+02  0.129205D+02
               331           332           333           334           335 
      1  -0.172833D+01  0.484902D+01 -0.769893D+01 -0.745945D+01 -0.574605D+01
      2   0.245366D+01 -0.419326D+01  0.996792D+01 -0.802207D+01 -0.991842D+00
      3  -0.725329D+00 -0.655763D+00 -0.226899D+01  0.154815D+02  0.673789D+01
      4  -0.390763D+01  0.513579D+01 -0.514808D+01  0.400187D+01  0.206588D+01
      5   0.416459D+01 -0.376082D+01  0.291695D+01 -0.124292D+02 -0.325468D+01
      6  -0.395329D+01  0.173044D+02 -0.747884D+01 -0.811996D+01 -0.649223D+01
               336           337           338           339           340 
      1   0.172907D+02 -0.223196D+01 -0.263871D+01  0.686060D-02  0.911318D+01
      2   0.103940D+02  0.122870D+01  0.155080D+00 -0.306916D+01  0.542962D+01
      3  -0.276846D+02  0.100326D+01  0.248363D+01  0.306230D+01 -0.145428D+02
      4  -0.337854D+01  0.178890D+01  0.195358D+01 -0.139161D+01 -0.187817D+01
      5   0.126416D+02 -0.220816D+01 -0.272474D+01  0.281782D+01  0.899347D+01
      6   0.127395D+02 -0.392360D+01 -0.382045D+01  0.420615D+01  0.488563D+01
               341           342           343           344           345 
      1   0.134946D+01 -0.145835D+02 -0.696543D+00  0.196714D+01  0.489675D+01
      2   0.780555D+00 -0.104801D+02  0.487077D-01  0.118388D+01  0.345410D+01
      3  -0.213001D+01  0.250636D+02  0.647835D+00 -0.315102D+01 -0.835085D+01
      4  -0.185307D+01  0.276812D+01  0.249435D+01  0.183508D+01  0.203943D+01
      5   0.263750D+01 -0.124432D+02  0.132160D+01  0.314010D+01  0.190120D+01
      6   0.404953D+01 -0.594671D+01  0.345587D+01  0.102142D+01 -0.987087D+00
               346           347           348           349           350 
      1  -0.113429D+01 -0.163519D+02 -0.195696D+02  0.210086D+00 -0.124627D+02
      2  -0.299725D+01  0.589863D+00 -0.538512D+01 -0.296074D+00 -0.185712D+01
      3   0.413154D+01  0.157620D+02  0.249547D+02  0.859878D-01  0.143199D+02
      4   0.446346D+01  0.987979D+01  0.999868D+01  0.283268D+01  0.366929D+01
      5   0.757104D+01  0.112446D+02  0.157950D+02  0.256179D+01  0.695548D+01
      6   0.546848D+01  0.225356D+02  0.253828D+02  0.236318D+01  0.159425D+02
               351           352           353           354           355 
      1  -0.206591D+02  0.288345D+02 -0.135696D+02 -0.782517D+00 -0.186371D+02
      2  -0.530337D+01 -0.195999D+00 -0.822754D+01  0.168420D+01 -0.142282D+02
      3   0.259625D+02 -0.286385D+02  0.217971D+02 -0.901685D+00  0.328653D+02
      4   0.567812D+01 -0.384284D+02  0.364378D+02 -0.307040D+01  0.541848D+02
      5   0.882177D+01  0.485379D+00 -0.442718D+01  0.483024D+01  0.118165D+01
      6   0.207844D+02 -0.216669D+01  0.807283D+00 -0.934980D+00 -0.884844D+00
               356           357           358           359           360 
      1   0.511107D+01  0.299896D+01  0.907758D+01 -0.361385D+01 -0.291157D+01
      2   0.341863D+02 -0.330356D+01  0.194520D+01 -0.858523D+01  0.384321D+01
      3  -0.392974D+02  0.304607D+00 -0.110228D+02  0.121991D+02 -0.931640D+00
      4  -0.676205D+02  0.868838D+00 -0.183237D+02  0.193490D+02 -0.878065D+01
      5   0.422176D+01 -0.730297D+01  0.604378D+01 -0.947066D+01  0.497331D+01
      6  -0.107110D+01  0.628477D+01 -0.388868D+01  0.891351D+01 -0.280871D+01
               361           362           363           364           365 
      1  -0.137344D+02 -0.749389D+01 -0.831244D+01 -0.684561D+01 -0.703334D+01
      2   0.878063D+01  0.376684D+01  0.430801D+01  0.953265D+00  0.964016D+01
      3   0.495372D+01  0.372705D+01  0.400444D+01  0.589235D+01 -0.260682D+01
      4   0.179004D+01  0.248437D+01 -0.114395D+01  0.101448D+02 -0.122668D+02
      5  -0.417811D+00 -0.273547D+01 -0.187951D+01  0.597412D+00 -0.522753D+01
      6   0.277850D+01  0.428845D+01  0.543288D+01  0.896369D+00  0.862538D+01
               366           367           368           369           370 
      1  -0.740336D+01 -0.140428D+02 -0.140612D+02 -0.165421D+02  0.705259D+02
      2   0.576039D+01  0.919961D+01  0.670949D+01  0.252518D+01 -0.412640D+02
      3   0.164297D+01  0.484322D+01  0.735167D+01  0.140169D+02 -0.292619D+02
      4  -0.553312D+01  0.687229D+00 -0.613627D+01 -0.891399D+01 -0.365806D+02
      5  -0.512863D+01  0.485764D+01 -0.102164D+02 -0.171646D+02 -0.522851D+02
      6   0.900989D+01  0.361939D+00  0.134309D+02  0.186459D+02  0.121516D+02
               371           372           373           374           375 
      1  -0.208845D+02 -0.314543D+02 -0.281446D+02  0.131590D+02  0.144058D+02
      2   0.115646D+02  0.219897D+02  0.150058D+02 -0.551661D+01 -0.912694D+01
      3   0.931990D+01  0.946461D+01  0.131388D+02 -0.764235D+01 -0.527882D+01
      4   0.204080D+02  0.218122D+02  0.296576D+02 -0.240837D+02 -0.204619D+02
      5   0.207247D+02  0.375018D+02  0.278350D+02 -0.198217D+02 -0.199104D+02
      6  -0.639994D+01 -0.809844D+01 -0.108908D+02  0.907814D+01  0.102700D+02
               376           377           378           379           380 
      1  -0.279668D+02  0.100844D+02  0.215193D+02 -0.174393D+02  0.577673D+01
      2   0.225125D+02 -0.765282D+01 -0.206534D+02  0.756876D+01  0.267944D+00
      3   0.545432D+01 -0.243158D+01 -0.865877D+00  0.987051D+01 -0.604468D+01
      4   0.209867D+02 -0.136280D+02 -0.183651D+02  0.572339D+01 -0.420424D+01
      5   0.433122D+02 -0.169145D+02 -0.405680D+02 -0.446590D+01  0.287614D+01
      6  -0.106525D+02  0.815266D+01  0.104538D+02 -0.260699D+01  0.735873D+00
               381           382           383           384           385 
      1  -0.798331D+01  0.158664D+02 -0.885753D+01  0.102603D+02 -0.119178D+02
      2   0.111881D+01 -0.771666D+01  0.184567D+01  0.124102D+00  0.551788D+01
      3   0.686449D+01 -0.814971D+01  0.701187D+01 -0.103844D+02  0.639990D+01
      4   0.391297D+01 -0.218425D+01  0.140508D+02 -0.101402D+02  0.401019D+01
      5  -0.986929D+00  0.262473D+01 -0.892175D+01  0.157827D+02  0.649813D+01
      6  -0.831609D+00  0.107183D+01 -0.647227D+01  0.525720D+01 -0.212648D+01
               386           387           388           389           390 
      1   0.823625D+01 -0.795123D+01  0.123573D+03  0.392508D+02 -0.127986D+02
      2   0.457447D+00 -0.754955D+01 -0.587592D+02 -0.169467D+02  0.643069D+01
      3  -0.869370D+01  0.155008D+02 -0.648138D+02 -0.223041D+02  0.636792D+01
      4  -0.860805D+01  0.794406D+01  0.482529D+02  0.273875D+02 -0.796174D+01
      5   0.794824D+01 -0.237296D+02 -0.147492D+02 -0.720859D+01  0.126892D+02
      6   0.566949D+01 -0.451266D+01 -0.479025D+01 -0.157446D+01  0.157241D+01
               391           392           393           394           395 
      1   0.633717D+02  0.327986D+02 -0.100218D+02 -0.318352D+02 -0.137656D+02
      2  -0.266094D+02 -0.114664D+02  0.447235D+01  0.156720D+02  0.658175D+01
      3  -0.367622D+02 -0.213322D+02  0.554946D+01  0.161631D+02  0.718382D+01
      4   0.453909D+02  0.317338D+02 -0.440056D+01 -0.171694D+02 -0.753008D+01
      5  -0.119283D+02 -0.391337D+01  0.627874D+01  0.227277D+02  0.665746D+01
      6  -0.303899D+01 -0.273897D+01  0.298492D+01  0.421423D+01  0.362371D+01
               396           397           398           399           400 
      1   0.161149D+02  0.500438D+02 -0.123957D+02  0.180087D+02 -0.334133D+02
      2  -0.869955D+01 -0.261207D+02  0.617134D+01 -0.105629D+02  0.160973D+02
      3  -0.741531D+01 -0.239231D+02  0.622436D+01 -0.744577D+01  0.173160D+02
      4   0.683471D+01 -0.167493D+02  0.145434D+02 -0.105261D+02  0.312067D+02
      5  -0.100443D+02  0.234154D+02 -0.107831D+02  0.151772D+02 -0.241669D+02
      6  -0.236803D+01 -0.486697D+01  0.251285D+01 -0.280182D+01  0.636284D+01
               401           402           403           404           405 
      1   0.204378D+02 -0.173796D+02  0.358541D+02 -0.145414D+02  0.182555D+02
      2  -0.841763D+01  0.891347D+01 -0.221669D+02  0.927977D+01 -0.143323D+02
      3  -0.120202D+02  0.846613D+01 -0.136872D+02  0.526159D+01 -0.392323D+01
      4  -0.288516D+02  0.167736D+02 -0.198201D+02  0.153442D+02 -0.168958D+02
      5   0.169372D+02 -0.224158D+02  0.304245D+02 -0.169459D+02  0.330358D+02
      6  -0.656552D+01  0.634681D+01 -0.610642D+01  0.575086D+01 -0.634990D+01
               406           407           408           409           410 
      1  -0.176820D+01  0.456188D+01 -0.458042D+01  0.191201D+02 -0.499596D+01
      2   0.304983D+01 -0.272298D+01  0.310033D+01 -0.389502D+01  0.212608D+02
      3  -0.128163D+01 -0.183891D+01  0.148009D+01 -0.152251D+02 -0.162648D+02
      4   0.462601D+01  0.406638D+01 -0.108565D+01  0.209521D+02  0.382325D+02
      5  -0.497473D+01  0.372768D+00  0.191206D+01  0.517715D+01 -0.342342D+01
      6  -0.356698D+01 -0.124901D+01  0.103015D+01  0.270597D+01  0.108299D+00
               411           412           413           414           415 
      1   0.592523D+01 -0.244432D+02  0.379381D+01 -0.152193D+01  0.238105D+02
      2  -0.635526D+01  0.943862D+01 -0.950328D+01  0.321730D+01 -0.166848D+02
      3   0.430033D+00  0.150046D+02  0.570947D+01 -0.169538D+01 -0.712575D+01
      4  -0.382036D+01 -0.372036D+01 -0.141413D+02  0.922773D+01  0.174643D+02
      5   0.796348D+01  0.406932D+01  0.978954D+01 -0.419781D+01  0.280864D+02
      6   0.538524D+01  0.172763D+01  0.418935D+01 -0.141753D+01  0.958536D+01
               416           417           418           419           420 
      1   0.670449D+01  0.130486D+02  0.871655D+01  0.340265D+01  0.342897D+01
      2  -0.378863D+01 -0.936198D+01 -0.287001D+01  0.504947D-01 -0.189921D+01
      3  -0.291586D+01 -0.368663D+01 -0.584654D+01 -0.345314D+01 -0.152976D+01
      4   0.136712D+02  0.155588D+02  0.207437D+02  0.224320D+02  0.174908D+02
      5   0.156362D+02  0.252997D+02  0.169474D+02  0.184823D+02  0.173526D+02
      6   0.614006D+01  0.765799D+01  0.100042D+02  0.113532D+02  0.130194D+02
               421           422           423 
      1   0.236659D+02  0.551679D+01  0.568522D+01
      2  -0.196886D+02 -0.707759D+01 -0.166943D+02
      3  -0.397737D+01  0.156080D+01  0.110091D+02
      4   0.262133D+02  0.214183D+02  0.293948D+02
      5   0.423304D+02  0.304880D+02  0.553273D+02
      6   0.172159D+02  0.169083D+02  0.224867D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.291529D+03      0.432001D+02      0.480666D+02
   aniso      0.822230D+02      0.121842D+02      0.135567D+02
   xx         0.344907D+03      0.511100D+02      0.568675D+02
   yx        -0.464994D+00     -0.689050D-01     -0.766671D-01
   yy         0.274780D+03      0.407183D+02      0.453052D+02
   zx        -0.416668D+01     -0.617439D+00     -0.686994D+00
   zy         0.413622D+00      0.612925D-01      0.681971D-01
   zz         0.254898D+03      0.377720D+02      0.420270D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.291529D+03      0.432001D+02      0.480666D+02
   aniso      0.822230D+02      0.121842D+02      0.135567D+02
   xx         0.344972D+03      0.511196D+02      0.568782D+02
   yx        -0.276477D+00     -0.409696D-01     -0.455849D-01
   yy         0.254761D+03      0.377516D+02      0.420044D+02
   zx         0.302007D+01      0.447529D+00      0.497943D+00
   zy        -0.112331D+01     -0.166457D+00     -0.185209D+00
   zz         0.274853D+03      0.407290D+02      0.453171D+02

 ----------------------------------------------------------------------
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 SIC AS THE CAWSE OF EWERY THING IS, SIC WILBE THE EFFECT.
 -- PROVERBS AND REASONS OF THE YEAR 1585
           AS REPRINTED IN PAISLEY MAGAZINE 1828.
 Job cpu time:      24 days 19 hours 44 minutes 44.8 seconds.
 Elapsed time:       1 days 13 hours 15 minutes 52.2 seconds.
 File lengths (MBytes):  RWF=   5122 Int=      0 D2E=      0 Chk=     93 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 29 23:53:02 2021.
